[2-[(2-methoxy-4-morpholin-4-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-pyridin-2-ylquinoline-4-carboxylate

Systemtic Name: [2-[(2-methoxy-4-morpholin-4-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-pyridin-2-ylquinoline-4-carboxylate Openeye Name: [2-(2-methoxy-4-morpholinosulfonyl-anilino)-2-oxo-ethyl] 2-(2-pyridyl)quinoline-4-carboxylate CAS Name: 2-(2-pyridinyl)-4-quinolinecarboxylic acid [2-[2-methoxy-4-(4-morpholinylsulfonyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-(2-methoxy-4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-pyridin-2-ylquinoline-4-carboxylate Traditional Name: 2-(2-pyridyl)cinchoninic acid [2-keto-2-(2-methoxy-4-morpholinosulfonyl-anilino)ethyl] ester Formula: C28H26N4O7S MolecularWeight: 562.59364

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)S(=O)(=O)N2CCOCC2)NC(=O)COC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=N5

Isomeric SMILES

COC1=C(C=CC(=C1)S(=O)(=O)N2CCOCC2)NC(=O)COC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=N5

InChI

InChI=1S/C28H26N4O7S/c1-37-26-16-19(40(35,36)32-12-14-38-15-13-32)9-10-24(26)31-27(33)18-39-28(34)21-17-25(23-8-4-5-11-29-23)30-22-7-3-2-6-20(21)22/h2-11,16-17H,12-15,18H2,1H3,(H,31,33)