[4-[pyridin-4-ylcarbonyl(quinolin-8-ylsulfonyl)amino]phenyl] pyridine-4-carboxylate

Systemtic Name: [4-[pyridin-4-ylcarbonyl(quinolin-8-ylsulfonyl)amino]phenyl] pyridine-4-carboxylate Openeye Name: [4-[pyridine-4-carbonyl(8-quinolylsulfonyl)amino]phenyl] pyridine-4-carboxylate CAS Name: 4-pyridinecarboxylic acid [4-[[oxo(pyridin-4-yl)methyl]-(8-quinolinylsulfonyl)amino]phenyl] ester IUPAC Name: [4-[pyridine-4-carbonyl(quinolin-8-ylsulfonyl)amino]phenyl] pyridine-4-carboxylate Traditional Name: isonicotinic acid [4-[isonicotinoyl(8-quinolylsulfonyl)amino]phenyl] ester Formula: C27H18N4O5S MolecularWeight: 510.52062

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)S(=O)(=O)N(C3=CC=C(C=C3)OC(=O)C4=CC=NC=C4)C(=O)C5=CC=NC=C5)N=CC=C2

Isomeric SMILES

C1=CC2=C(C(=C1)S(=O)(=O)N(C3=CC=C(C=C3)OC(=O)C4=CC=NC=C4)C(=O)C5=CC=NC=C5)N=CC=C2

InChI

InChI=1S/C27H18N4O5S/c32-26(20-10-15-28-16-11-20)31(37(34,35)24-5-1-3-19-4-2-14-30-25(19)24)22-6-8-23(9-7-22)36-27(33)21-12-17-29-18-13-21/h1-18H