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

Systemtic Name: 6-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-5-[(3-methylphenyl)sulfonylamino]pyridine-3-carboxylic acid Openeye Name: 6-[3-methyl-4-(m-tolyl)piperazin-1-yl]-5-(m-tolylsulfonylamino)pyridine-3-carboxylic acid CAS Name: 6-[3-methyl-4-(3-methylphenyl)-1-piperazinyl]-5-[(3-methylphenyl)sulfonylamino]-3-pyridinecarboxylic acid IUPAC Name: 6-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-5-[(3-methylphenyl)sulfonylamino]pyridine-3-carboxylic acid Traditional Name: 6-[3-methyl-4-(m-tolyl)piperazino]-5-(m-tolylsulfonylamino)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=CC(=C4)C

Isomeric SMILES

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

InChI

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