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

Systemtic Name: 3-(cyclopropylmethylamino)-4-phenylsulfanyl-5-sulfamoyl-benzoic acid Openeye Name: 3-(cyclopropylmethylamino)-4-phenylsulfanyl-5-sulfamoyl-benzoic acid CAS Name: 3-(cyclopropylmethylamino)-4-(phenylthio)-5-sulfamoylbenzoic acid IUPAC Name: 3-(cyclopropylmethylamino)-4-phenylsulfanyl-5-sulfamoylbenzoic acid Traditional Name: 3-(cyclopropylmethylamino)-4-(phenylthio)-5-sulfamoyl-benzoic acid Formula: C17H18N2O4S2 MolecularWeight: 378.46582

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1CNC2=C(C(=CC(=C2)C(=O)O)S(=O)(=O)N)SC3=CC=CC=C3

Isomeric SMILES

C1CC1CNC2=C(C(=CC(=C2)C(=O)O)S(=O)(=O)N)SC3=CC=CC=C3

InChI

InChI=1S/C17H18N2O4S2/c18-25(22,23)15-9-12(17(20)21)8-14(19-10-11-6-7-11)16(15)24-13-4-2-1-3-5-13/h1-5,8-9,11,19H,6-7,10H2,(H,20,21)(H2,18,22,23)