W6O

(3~{a}~{R},6~{a}~{S})-~{N}-[(2,4-dichlorophenyl)methyl]-2-(4-methylphenyl)sulfonyl-3,3~{a},4,5,6,6~{a}-hexahydro-1~{H}-cyclopenta[c]pyrrole-5-carboxamide

Created: 2023-09-26
Last modified:  2024-02-14

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Chemical Details

Formal Charge0
Atom Count54
Chiral Atom Count2
Bond Count57
Aromatic Bond Count12
2D diagram of W6O
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Chemical Component Summary

Name(3~{a}~{R},6~{a}~{S})-~{N}-[(2,4-dichlorophenyl)methyl]-2-(4-methylphenyl)sulfonyl-3,3~{a},4,5,6,6~{a}-hexahydro-1~{H}-cyclopenta[c]pyrrole-5-carboxamide
Systematic Name (OpenEye OEToolkits)(3~{a}~{R},6~{a}~{S})-~{N}-[(2,4-dichlorophenyl)methyl]-2-(4-methylphenyl)sulfonyl-3,3~{a},4,5,6,6~{a}-hexahydro-1~{H}-cyclopenta[c]pyrrole-5-carboxamide
FormulaC22 H24 Cl2 N2 O3 S
Molecular Weight467.409
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESCACTVS3.385Cc1ccc(cc1)[S](=O)(=O)N2C[CH]3CC(C[CH]3C2)C(=O)NCc4ccc(Cl)cc4Cl
SMILESOpenEye OEToolkits2.0.7Cc1ccc(cc1)S(=O)(=O)N2CC3CC(CC3C2)C(=O)NCc4ccc(cc4Cl)Cl
Canonical SMILESCACTVS3.385 Cc1ccc(cc1)[S](=O)(=O)N2C[C@H]3CC(C[C@H]3C2)C(=O)NCc4ccc(Cl)cc4Cl
Canonical SMILESOpenEye OEToolkits2.0.7 Cc1ccc(cc1)S(=O)(=O)N2C[C@H]3CC(C[C@H]3C2)C(=O)NCc4ccc(cc4Cl)Cl
InChIInChI1.06 InChI=1S/C22H24Cl2N2O3S/c1-14-2-6-20(7-3-14)30(28,29)26-12-17-8-16(9-18(17)13-26)22(27)25-11-15-4-5-19(23)10-21(15)24/h2-7,10,16-18H,8-9,11-13H2,1H3,(H,25,27)/t16-,17+,18-
InChIKeyInChI1.06 LGIZBXBXVOKOLX-BCDXTJNWSA-N