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

Systemtic Name: 3-[(4-propan-2-ylphenyl)sulfonylamino]-4-(4-pyridin-2-ylpiperazin-1-yl)benzoic acid Openeye Name: 3-[(4-isopropylphenyl)sulfonylamino]-4-[4-(2-pyridyl)piperazin-1-yl]benzoic acid CAS Name: 3-[(4-propan-2-ylphenyl)sulfonylamino]-4-[4-(2-pyridinyl)-1-piperazinyl]benzoic acid IUPAC Name: 3-[(4-propan-2-ylphenyl)sulfonylamino]-4-(4-pyridin-2-ylpiperazin-1-yl)benzoic acid Traditional Name: 3-(p-cumenylsulfonylamino)-4-[4-(2-pyridyl)piperazino]benzoic acid Formula: C25H28N4O4S MolecularWeight: 480.57922

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28N4O4S/c1-18(2)19-6-9-21(10-7-19)34(32,33)27-22-17-20(25(30)31)8-11-23(22)28-13-15-29(16-14-28)24-5-3-4-12-26-24/h3-12,17-18,27H,13-16H2,1-2H3,(H,30,31)