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

Systemtic Name: 3-[(3,4-dimethylphenyl)sulfonylamino]-4-(4-pyridin-2-ylpiperazin-1-yl)benzoic acid Openeye Name: 3-[(3,4-dimethylphenyl)sulfonylamino]-4-[4-(2-pyridyl)piperazin-1-yl]benzoic acid CAS Name: 3-[(3,4-dimethylphenyl)sulfonylamino]-4-[4-(2-pyridinyl)-1-piperazinyl]benzoic acid IUPAC Name: 3-[(3,4-dimethylphenyl)sulfonylamino]-4-(4-pyridin-2-ylpiperazin-1-yl)benzoic acid Traditional Name: 3-[(3,4-dimethylphenyl)sulfonylamino]-4-[4-(2-pyridyl)piperazino]benzoic acid Formula: C24H26N4O4S MolecularWeight: 466.55264

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H26N4O4S/c1-17-6-8-20(15-18(17)2)33(31,32)26-21-16-19(24(29)30)7-9-22(21)27-11-13-28(14-12-27)23-5-3-4-10-25-23/h3-10,15-16,26H,11-14H2,1-2H3,(H,29,30)