[4-[(2,4-dimethylphenyl)sulfonyl-pyridin-4-ylcarbonyl-amino]phenyl] pyridine-4-carboxylate

Systemtic Name: [4-[(2,4-dimethylphenyl)sulfonyl-pyridin-4-ylcarbonyl-amino]phenyl] pyridine-4-carboxylate Openeye Name: [4-[(2,4-dimethylphenyl)sulfonyl-(pyridine-4-carbonyl)amino]phenyl] pyridine-4-carboxylate CAS Name: 4-pyridinecarboxylic acid [4-[(2,4-dimethylphenyl)sulfonyl-[oxo(pyridin-4-yl)methyl]amino]phenyl] ester IUPAC Name: [4-[(2,4-dimethylphenyl)sulfonyl-(pyridine-4-carbonyl)amino]phenyl] pyridine-4-carboxylate Traditional Name: isonicotinic acid [4-[(2,4-dimethylphenyl)sulfonyl-isonicotinoyl-amino]phenyl] ester Formula: C26H21N3O5S MolecularWeight: 487.52704

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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