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

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

CCC1=CC=C(C=C1)S(=O)(=O)NC2=C(N=CC(=C2)C(=O)O)N3CCN(C(C3)C)C4=CC=CC(=C4)C

Isomeric SMILES

CCC1=CC=C(C=C1)S(=O)(=O)NC2=C(N=CC(=C2)C(=O)O)N3CCN(C(C3)C)C4=CC=CC(=C4)C

InChI

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