5-[[4-(pyridin-3-ylmethylsulfanyl)phenyl]sulfamoyl]thiophene-3-carboxylic acid

Systemtic Name: 5-[[4-(pyridin-3-ylmethylsulfanyl)phenyl]sulfamoyl]thiophene-3-carboxylic acid Openeye Name: 5-[[4-(3-pyridylmethylsulfanyl)phenyl]sulfamoyl]thiophene-3-carboxylic acid CAS Name: 5-[[4-(3-pyridinylmethylthio)phenyl]sulfamoyl]-3-thiophenecarboxylic acid IUPAC Name: 5-[[4-(pyridin-3-ylmethylsulfanyl)phenyl]sulfamoyl]thiophene-3-carboxylic acid Traditional Name: 5-[[4-(3-pyridylmethylthio)phenyl]sulfamoyl]-3-thenoic acid Formula: C17H14N2O4S3 MolecularWeight: 406.49906

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CSC2=CC=C(C=C2)NS(=O)(=O)C3=CC(=CS3)C(=O)O

Isomeric SMILES

C1=CC(=CN=C1)CSC2=CC=C(C=C2)NS(=O)(=O)C3=CC(=CS3)C(=O)O

InChI

InChI=1S/C17H14N2O4S3/c20-17(21)13-8-16(25-11-13)26(22,23)19-14-3-5-15(6-4-14)24-10-12-2-1-7-18-9-12/h1-9,11,19H,10H2,(H,20,21)