3-[(4-methylphenyl)sulfonylamino]-4-piperidin-1-yl-benzoic acid

Systemtic Name: 3-[(4-methylphenyl)sulfonylamino]-4-piperidin-1-yl-benzoic acid Openeye Name: 4-(1-piperidyl)-3-(p-tolylsulfonylamino)benzoic acid CAS Name: 3-[(4-methylphenyl)sulfonylamino]-4-(1-piperidinyl)benzoic acid IUPAC Name: 3-[(4-methylphenyl)sulfonylamino]-4-piperidin-1-ylbenzoic acid Traditional Name: 4-piperidino-3-(tosylamino)benzoic acid Formula: C19H22N2O4S MolecularWeight: 374.45398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=CC(=C2)C(=O)O)N3CCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=CC(=C2)C(=O)O)N3CCCCC3

InChI

InChI=1S/C19H22N2O4S/c1-14-5-8-16(9-6-14)26(24,25)20-17-13-15(19(22)23)7-10-18(17)21-11-3-2-4-12-21/h5-10,13,20H,2-4,11-12H2,1H3,(H,22,23)