[4-[(4-ethylphenyl)sulfonyl-pyridin-4-ylcarbonyl-amino]phenyl] pyridine-4-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=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

Isomeric SMILES

CCC1=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

InChI

InChI=1S/C26H21N3O5S/c1-2-19-3-9-24(10-4-19)35(32,33)29(25(30)20-11-15-27-16-12-20)22-5-7-23(8-6-22)34-26(31)21-13-17-28-18-14-21/h3-18H,2H2,1H3