3-[(4-methylphenyl)sulfonylamino]-4-(4-pyridin-2-ylpiperazin-1-yl)benzoic acid

Systemtic Name: 3-[(4-methylphenyl)sulfonylamino]-4-(4-pyridin-2-ylpiperazin-1-yl)benzoic acid Openeye Name: 3-(p-tolylsulfonylamino)-4-[4-(2-pyridyl)piperazin-1-yl]benzoic acid CAS Name: 3-[(4-methylphenyl)sulfonylamino]-4-[4-(2-pyridinyl)-1-piperazinyl]benzoic acid IUPAC Name: 3-[(4-methylphenyl)sulfonylamino]-4-(4-pyridin-2-ylpiperazin-1-yl)benzoic acid Traditional Name: 4-[4-(2-pyridyl)piperazino]-3-(tosylamino)benzoic acid Formula: C23H24N4O4S MolecularWeight: 452.52606

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)N3CCN(CC3)C4=CC=CC=N4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=CC(=C2)C(=O)O)N3CCN(CC3)C4=CC=CC=N4

InChI

InChI=1S/C23H24N4O4S/c1-17-5-8-19(9-6-17)32(30,31)25-20-16-18(23(28)29)7-10-21(20)26-12-14-27(15-13-26)22-4-2-3-11-24-22/h2-11,16,25H,12-15H2,1H3,(H,28,29)