ethyl 4-[[4-(pyridin-3-ylmethylsulfanyl)phenyl]sulfamoyl]benzoate

Systemtic Name: ethyl 4-[[4-(pyridin-3-ylmethylsulfanyl)phenyl]sulfamoyl]benzoate Openeye Name: ethyl 4-[[4-(3-pyridylmethylsulfanyl)phenyl]sulfamoyl]benzoate CAS Name: 4-[[4-(3-pyridinylmethylthio)phenyl]sulfamoyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[4-(pyridin-3-ylmethylsulfanyl)phenyl]sulfamoyl]benzoate Traditional Name: 4-[[4-(3-pyridylmethylthio)phenyl]sulfamoyl]benzoic acid ethyl ester Formula: C21H20N2O4S2 MolecularWeight: 428.5245

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)SCC3=CN=CC=C3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)SCC3=CN=CC=C3

InChI

InChI=1S/C21H20N2O4S2/c1-2-27-21(24)17-5-11-20(12-6-17)29(25,26)23-18-7-9-19(10-8-18)28-15-16-4-3-13-22-14-16/h3-14,23H,2,15H2,1H3