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

Systemtic Name: 3-(butylamino)-4-phenylazanyl-5-sulfamoyl-benzoic acid Openeye Name: 4-anilino-3-(butylamino)-5-sulfamoyl-benzoic acid CAS Name: 4-anilino-3-(butylamino)-5-sulfamoylbenzoic acid IUPAC Name: 4-anilino-3-(butylamino)-5-sulfamoylbenzoic acid Traditional Name: 4-anilino-3-(butylamino)-5-sulfamoyl-benzoic acid Formula: C17H21N3O4S MolecularWeight: 363.43134

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)N)NC2=CC=CC=C2

Isomeric SMILES

CCCCNC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)N)NC2=CC=CC=C2

InChI

InChI=1S/C17H21N3O4S/c1-2-3-9-19-14-10-12(17(21)22)11-15(25(18,23)24)16(14)20-13-7-5-4-6-8-13/h4-8,10-11,19-20H,2-3,9H2,1H3,(H,21,22)(H2,18,23,24)