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

Systemtic Name: 5-[(3,5-dimethylphenyl)sulfonylamino]-6-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]pyridine-3-carboxylic acid Openeye Name: 5-[(3,5-dimethylphenyl)sulfonylamino]-6-[3-methyl-4-(m-tolyl)piperazin-1-yl]pyridine-3-carboxylic acid CAS Name: 5-[(3,5-dimethylphenyl)sulfonylamino]-6-[3-methyl-4-(3-methylphenyl)-1-piperazinyl]-3-pyridinecarboxylic acid IUPAC Name: 5-[(3,5-dimethylphenyl)sulfonylamino]-6-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]pyridine-3-carboxylic acid Traditional Name: 5-[(3,5-dimethylphenyl)sulfonylamino]-6-[3-methyl-4-(m-tolyl)piperazino]nicotinic acid Formula: C26H30N4O4S MolecularWeight: 494.6058

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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)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)C

InChI

InChI=1S/C26H30N4O4S/c1-17-6-5-7-22(11-17)30-9-8-29(16-20(30)4)25-24(14-21(15-27-25)26(31)32)28-35(33,34)23-12-18(2)10-19(3)13-23/h5-7,10-15,20,28H,8-9,16H2,1-4H3,(H,31,32)