[1-[(3-morpholin-4-ylsulfonylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-pyridin-3-ylquinoline-4-carboxylate

Systemtic Name: [1-[(3-morpholin-4-ylsulfonylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-pyridin-3-ylquinoline-4-carboxylate Openeye Name: [1-methyl-2-(3-morpholinosulfonylanilino)-2-oxo-ethyl] 2-(3-pyridyl)quinoline-4-carboxylate CAS Name: 2-(3-pyridinyl)-4-quinolinecarboxylic acid [1-[3-(4-morpholinylsulfonyl)anilino]-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl] 2-pyridin-3-ylquinoline-4-carboxylate Traditional Name: 2-(3-pyridyl)cinchoninic acid [2-keto-1-methyl-2-(3-morpholinosulfonylanilino)ethyl] ester Formula: C28H26N4O6S MolecularWeight: 546.59424

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)S(=O)(=O)N2CCOCC2)OC(=O)C3=CC(=NC4=CC=CC=C43)C5=CN=CC=C5

Isomeric SMILES

CC(C(=O)NC1=CC(=CC=C1)S(=O)(=O)N2CCOCC2)OC(=O)C3=CC(=NC4=CC=CC=C43)C5=CN=CC=C5

InChI

InChI=1S/C28H26N4O6S/c1-19(27(33)30-21-7-4-8-22(16-21)39(35,36)32-12-14-37-15-13-32)38-28(34)24-17-26(20-6-5-11-29-18-20)31-25-10-3-2-9-23(24)25/h2-11,16-19H,12-15H2,1H3,(H,30,33)