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

Systemtic Name: 5-[(3-fluorophenyl)sulfonylamino]-6-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]pyridine-3-carboxylic acid Openeye Name: 5-[(3-fluorophenyl)sulfonylamino]-6-[3-methyl-4-(m-tolyl)piperazin-1-yl]pyridine-3-carboxylic acid CAS Name: 5-[(3-fluorophenyl)sulfonylamino]-6-[3-methyl-4-(3-methylphenyl)-1-piperazinyl]-3-pyridinecarboxylic acid IUPAC Name: 5-[(3-fluorophenyl)sulfonylamino]-6-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]pyridine-3-carboxylic acid Traditional Name: 5-[(3-fluorophenyl)sulfonylamino]-6-[3-methyl-4-(m-tolyl)piperazino]nicotinic acid Formula: C24H25FN4O4S MolecularWeight: 484.543103

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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)F

Isomeric SMILES

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

InChI

InChI=1S/C24H25FN4O4S/c1-16-5-3-7-20(11-16)29-10-9-28(15-17(29)2)23-22(12-18(14-26-23)24(30)31)27-34(32,33)21-8-4-6-19(25)13-21/h3-8,11-14,17,27H,9-10,15H2,1-2H3,(H,30,31)