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

Systemtic Name: [4-[(4-tert-butylphenyl)sulfonyl-pyridin-4-ylcarbonyl-amino]phenyl] pyridine-4-carboxylate Openeye Name: [4-[(4-tert-butylphenyl)sulfonyl-(pyridine-4-carbonyl)amino]phenyl] pyridine-4-carboxylate CAS Name: 4-pyridinecarboxylic acid [4-[(4-tert-butylphenyl)sulfonyl-[oxo(pyridin-4-yl)methyl]amino]phenyl] ester IUPAC Name: [4-[(4-tert-butylphenyl)sulfonyl-(pyridine-4-carbonyl)amino]phenyl] pyridine-4-carboxylate Traditional Name: isonicotinic acid [4-[(4-tert-butylphenyl)sulfonyl-isonicotinoyl-amino]phenyl] ester Formula: C28H25N3O5S MolecularWeight: 515.5802

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=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

CC(C)(C)C1=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/C28H25N3O5S/c1-28(2,3)22-4-10-25(11-5-22)37(34,35)31(26(32)20-12-16-29-17-13-20)23-6-8-24(9-7-23)36-27(33)21-14-18-30-19-15-21/h4-19H,1-3H3