4-(4-pyridin-2-ylpiperazin-1-yl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]benzoic acid

Systemtic Name: 4-(4-pyridin-2-ylpiperazin-1-yl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]benzoic acid Openeye Name: 4-[4-(2-pyridyl)piperazin-1-yl]-3-[(2,4,6-trimethylphenyl)sulfonylamino]benzoic acid CAS Name: 4-[4-(2-pyridinyl)-1-piperazinyl]-3-[(2,4,6-trimethylphenyl)sulfonylamino]benzoic acid IUPAC Name: 4-(4-pyridin-2-ylpiperazin-1-yl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]benzoic acid Traditional Name: 3-(mesitylsulfonylamino)-4-[4-(2-pyridyl)piperazino]benzoic acid Formula: C25H28N4O4S MolecularWeight: 480.57922

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28N4O4S/c1-17-14-18(2)24(19(3)15-17)34(32,33)27-21-16-20(25(30)31)7-8-22(21)28-10-12-29(13-11-28)23-6-4-5-9-26-23/h4-9,14-16,27H,10-13H2,1-3H3,(H,30,31)