[2-[(2-chloranyl-5-morpholin-4-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-pyridin-2-ylquinoline-4-carboxylate

Systemtic Name: [2-[(2-chloranyl-5-morpholin-4-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-pyridin-2-ylquinoline-4-carboxylate Openeye Name: [2-(2-chloro-5-morpholinosulfonyl-anilino)-2-oxo-ethyl] 2-(2-pyridyl)quinoline-4-carboxylate CAS Name: 2-(2-pyridinyl)-4-quinolinecarboxylic acid [2-[2-chloro-5-(4-morpholinylsulfonyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-(2-chloro-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-pyridin-2-ylquinoline-4-carboxylate Traditional Name: 2-(2-pyridyl)cinchoninic acid [2-(2-chloro-5-morpholinosulfonyl-anilino)-2-keto-ethyl] ester Formula: C27H23ClN4O6S MolecularWeight: 567.01272

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)COC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=N5

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)COC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=N5

InChI

InChI=1S/C27H23ClN4O6S/c28-21-9-8-18(39(35,36)32-11-13-37-14-12-32)15-24(21)31-26(33)17-38-27(34)20-16-25(23-7-3-4-10-29-23)30-22-6-2-1-5-19(20)22/h1-10,15-16H,11-14,17H2,(H,31,33)