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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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