aniline; 3-(cyclopropylmethylamino)-5-sulfamoyl-4-sulfanyl-benzoic acid

Systemtic Name: aniline; 3-(cyclopropylmethylamino)-5-sulfamoyl-4-sulfanyl-benzoic acid Openeye Name: aniline; 3-(cyclopropylmethylamino)-5-sulfamoyl-4-sulfanyl-benzoic acid CAS Name: aniline; 3-(cyclopropylmethylamino)-4-mercapto-5-sulfamoylbenzoic acid IUPAC Name: aniline; 3-(cyclopropylmethylamino)-5-sulfamoyl-4-sulfanylbenzoic acid Traditional Name: 3-(cyclopropylmethylamino)-4-mercapto-5-sulfamoyl-benzoic acid; phenylamine Formula: C17H21N3O4S2 MolecularWeight: 395.49634

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1CNC2=C(C(=CC(=C2)C(=O)O)S(=O)(=O)N)S.C1=CC=C(C=C1)N

Isomeric SMILES

C1CC1CNC2=C(C(=CC(=C2)C(=O)O)S(=O)(=O)N)S.C1=CC=C(C=C1)N

InChI

InChI=1S/C11H14N2O4S2.C6H7N/c12-19(16,17)9-4-7(11(14)15)3-8(10(9)18)13-5-6-1-2-6;7-6-4-2-1-3-5-6/h3-4,6,13,18H,1-2,5H2,(H,14,15)(H2,12,16,17);1-5H,7H2