6-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-5-[(4-methylphenyl)sulfonylamino]pyridine-3-carboxylic acid

Systemtic Name: 6-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-5-[(4-methylphenyl)sulfonylamino]pyridine-3-carboxylic acid Openeye Name: 6-[3-methyl-4-(m-tolyl)piperazin-1-yl]-5-(p-tolylsulfonylamino)pyridine-3-carboxylic acid CAS Name: 6-[3-methyl-4-(3-methylphenyl)-1-piperazinyl]-5-[(4-methylphenyl)sulfonylamino]-3-pyridinecarboxylic acid IUPAC Name: 6-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-5-[(4-methylphenyl)sulfonylamino]pyridine-3-carboxylic acid Traditional Name: 6-[3-methyl-4-(m-tolyl)piperazino]-5-(tosylamino)nicotinic acid Formula: C25H28N4O4S MolecularWeight: 480.57922

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C2=CC=CC(=C2)C)C3=C(C=C(C=N3)C(=O)O)NS(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CC1CN(CCN1C2=CC=CC(=C2)C)C3=C(C=C(C=N3)C(=O)O)NS(=O)(=O)C4=CC=C(C=C4)C

InChI

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