[3-methyl-4-[(4-methylphenyl)sulfonyl-pyridin-4-ylcarbonyl-amino]phenyl] pyridine-4-carboxylate

Systemtic Name: [3-methyl-4-[(4-methylphenyl)sulfonyl-pyridin-4-ylcarbonyl-amino]phenyl] pyridine-4-carboxylate Openeye Name: [3-methyl-4-[p-tolylsulfonyl(pyridine-4-carbonyl)amino]phenyl] pyridine-4-carboxylate CAS Name: 4-pyridinecarboxylic acid [3-methyl-4-[(4-methylphenyl)sulfonyl-[oxo(pyridin-4-yl)methyl]amino]phenyl] ester IUPAC Name: [3-methyl-4-[(4-methylphenyl)sulfonyl-(pyridine-4-carbonyl)amino]phenyl] pyridine-4-carboxylate Traditional Name: isonicotinic acid [4-[isonicotinoyl(tosyl)amino]-3-methyl-phenyl] ester Formula: C26H21N3O5S MolecularWeight: 487.52704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(C2=C(C=C(C=C2)OC(=O)C3=CC=NC=C3)C)C(=O)C4=CC=NC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C2=C(C=C(C=C2)OC(=O)C3=CC=NC=C3)C)C(=O)C4=CC=NC=C4

InChI

InChI=1S/C26H21N3O5S/c1-18-3-6-23(7-4-18)35(32,33)29(25(30)20-9-13-27-14-10-20)24-8-5-22(17-19(24)2)34-26(31)21-11-15-28-16-12-21/h3-17H,1-2H3