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

Systemtic Name: 3-[(4-ethoxyphenyl)sulfonylamino]-4-(4-pyridin-2-ylpiperazin-1-yl)benzoic acid Openeye Name: 3-[(4-ethoxyphenyl)sulfonylamino]-4-[4-(2-pyridyl)piperazin-1-yl]benzoic acid CAS Name: 3-[(4-ethoxyphenyl)sulfonylamino]-4-[4-(2-pyridinyl)-1-piperazinyl]benzoic acid IUPAC Name: 3-[(4-ethoxyphenyl)sulfonylamino]-4-(4-pyridin-2-ylpiperazin-1-yl)benzoic acid Traditional Name: 3-(p-phenetylsulfonylamino)-4-[4-(2-pyridyl)piperazino]benzoic acid Formula: C24H26N4O5S MolecularWeight: 482.55204

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=CC(=C2)C(=O)O)N3CCN(CC3)C4=CC=CC=N4

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=CC(=C2)C(=O)O)N3CCN(CC3)C4=CC=CC=N4

InChI

InChI=1S/C24H26N4O5S/c1-2-33-19-7-9-20(10-8-19)34(31,32)26-21-17-18(24(29)30)6-11-22(21)27-13-15-28(16-14-27)23-5-3-4-12-25-23/h3-12,17,26H,2,13-16H2,1H3,(H,29,30)