3-[(phenylmethyl)amino]-4-(propan-2-ylamino)-5-sulfamoyl-benzoic acid

Systemtic Name: 3-[(phenylmethyl)amino]-4-(propan-2-ylamino)-5-sulfamoyl-benzoic acid Openeye Name: 3-(benzylamino)-4-(isopropylamino)-5-sulfamoyl-benzoic acid CAS Name: 3-[(phenylmethyl)amino]-4-(propan-2-ylamino)-5-sulfamoylbenzoic acid IUPAC Name: 3-(benzylamino)-4-(propan-2-ylamino)-5-sulfamoylbenzoic acid Traditional Name: 3-(benzylamino)-4-(isopropylamino)-5-sulfamoyl-benzoic acid Formula: C17H21N3O4S MolecularWeight: 363.43134

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=C(C=C(C=C1S(=O)(=O)N)C(=O)O)NCC2=CC=CC=C2

Isomeric SMILES

CC(C)NC1=C(C=C(C=C1S(=O)(=O)N)C(=O)O)NCC2=CC=CC=C2

InChI

InChI=1S/C17H21N3O4S/c1-11(2)20-16-14(19-10-12-6-4-3-5-7-12)8-13(17(21)22)9-15(16)25(18,23)24/h3-9,11,19-20H,10H2,1-2H3,(H,21,22)(H2,18,23,24)