5-[[4-(azepan-1-ylsulfonyl)phenyl]sulfamoyl]thiophene-3-carboxylic acid

Systemtic Name: 5-[[4-(azepan-1-ylsulfonyl)phenyl]sulfamoyl]thiophene-3-carboxylic acid Openeye Name: 5-[[4-(azepan-1-ylsulfonyl)phenyl]sulfamoyl]thiophene-3-carboxylic acid CAS Name: 5-[[4-(1-azepanylsulfonyl)phenyl]sulfamoyl]-3-thiophenecarboxylic acid IUPAC Name: 5-[[4-(azepan-1-ylsulfonyl)phenyl]sulfamoyl]thiophene-3-carboxylic acid Traditional Name: 5-[[4-(azepan-1-ylsulfonyl)phenyl]sulfamoyl]-3-thenoic acid Formula: C17H20N2O6S3 MolecularWeight: 444.5455

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC(=CS3)C(=O)O

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC(=CS3)C(=O)O

InChI

InChI=1S/C17H20N2O6S3/c20-17(21)13-11-16(26-12-13)27(22,23)18-14-5-7-15(8-6-14)28(24,25)19-9-3-1-2-4-10-19/h5-8,11-12,18H,1-4,9-10H2,(H,20,21)