NRZ

(2~{S})-~{N}-(3,5-dimethylphenyl)-1-(4-methoxyphenyl)sulfonyl-pyrrolidine-2-carboxamide

Created:	2019-12-12
Last modified:	2020-01-01

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1 entries where NRZ is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	51
Chiral Atom Count	1
Bond Count	53
Aromatic Bond Count	12

2D diagram of NRZ

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Chemical Component Summary
Name	(2~{S})-~{N}-(3,5-dimethylphenyl)-1-(4-methoxyphenyl)sulfonyl-pyrrolidine-2-carboxamide
Systematic Name (OpenEye OEToolkits)	(2~{S})-~{N}-(3,5-dimethylphenyl)-1-(4-methoxyphenyl)sulfonyl-pyrrolidine-2-carboxamide
Formula	C₂₀ H₂₄ N₂ O₄ S
Molecular Weight	388.481
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	COc1ccc(cc1)[S](=O)(=O)N2CCC[CH]2C(=O)Nc3cc(C)cc(C)c3
SMILES	OpenEye OEToolkits	2.0.7	Cc1cc(cc(c1)NC(=O)C2CCCN2S(=O)(=O)c3ccc(cc3)OC)C
Canonical SMILES	CACTVS	3.385	COc1ccc(cc1)[S](=O)(=O)N2CCC[C@H]2C(=O)Nc3cc(C)cc(C)c3
Canonical SMILES	OpenEye OEToolkits	2.0.7	Cc1cc(cc(c1)NC(=O)[C@@H]2CCCN2S(=O)(=O)c3ccc(cc3)OC)C
InChI	InChI	1.03	InChI=1S/C20H24N2O4S/c1-14-11-15(2)13-16(12-14)21-20(23)19-5-4-10-22(19)27(24,25)18-8-6-17(26-3)7-9-18/h6-9,11-13,19H,4-5,10H2,1-3H3,(H,21,23)/t19-/m0/s1
InChIKey	InChI	1.03	NHPQGZOBHSVTAQ-IBGZPJMESA-N

Related Resource References

Resource Name	Reference
Pharos	CHEMBL3597952
PubChem	40924317
ChEMBL	CHEMBL3597952

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