0FZ

4-(6-methoxy-3,4-dihydroisoquinolin-1-yl)benzenesulfonamide

Created:2012-01-05
Last modified:  2012-01-05

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Chemical Details

Formal Charge0
Atom Count38
Chiral Atom Count0
Bond Count40
Aromatic Bond Count12
2D diagram of 0FZ

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Chemical Component Summary

Name4-(6-methoxy-3,4-dihydroisoquinolin-1-yl)benzenesulfonamide
Systematic Name (OpenEye OEToolkits)4-(6-methoxy-3,4-dihydroisoquinolin-1-yl)benzenesulfonamide
FormulaC16 H16 N2 O3 S
Molecular Weight316.375
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=S(=O)(N)c3ccc(C1=NCCc2cc(OC)ccc12)cc3
SMILESCACTVS3.370COc1ccc2c(CCN=C2c3ccc(cc3)[S](N)(=O)=O)c1
SMILESOpenEye OEToolkits1.7.6COc1ccc2c(c1)CCN=C2c3ccc(cc3)S(=O)(=O)N
Canonical SMILESCACTVS3.370 COc1ccc2c(CCN=C2c3ccc(cc3)[S](N)(=O)=O)c1
Canonical SMILESOpenEye OEToolkits1.7.6 COc1ccc2c(c1)CCN=C2c3ccc(cc3)S(=O)(=O)N
InChIInChI1.03 InChI=1S/C16H16N2O3S/c1-21-13-4-7-15-12(10-13)8-9-18-16(15)11-2-5-14(6-3-11)22(17,19)20/h2-7,10H,8-9H2,1H3,(H2,17,19,20)
InChIKeyInChI1.03 RZQVMYVIRNCVDY-UHFFFAOYSA-N

Related Resource References

Resource NameReference
Pharos CHEMBL2048925
PubChem 56928044
ChEMBL CHEMBL2048925