3-(butylamino)-4-phenylsulfanyl-5-sulfamoyl-benzoic acid

Systemtic Name: 3-(butylamino)-4-phenylsulfanyl-5-sulfamoyl-benzoic acid Openeye Name: 3-(butylamino)-4-phenylsulfanyl-5-sulfamoyl-benzoic acid CAS Name: 3-(butylamino)-4-(phenylthio)-5-sulfamoylbenzoic acid IUPAC Name: 3-(butylamino)-4-phenylsulfanyl-5-sulfamoylbenzoic acid Traditional Name: 3-(butylamino)-4-(phenylthio)-5-sulfamoyl-benzoic acid Formula: C17H20N2O4S2 MolecularWeight: 380.4817

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)N)SC2=CC=CC=C2

Isomeric SMILES

CCCCNC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)N)SC2=CC=CC=C2

InChI

InChI=1S/C17H20N2O4S2/c1-2-3-9-19-14-10-12(17(20)21)11-15(25(18,22)23)16(14)24-13-7-5-4-6-8-13/h4-8,10-11,19H,2-3,9H2,1H3,(H,20,21)(H2,18,22,23)