[2-[(2-methyl-5-morpholin-4-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate

Systemtic Name: [2-[(2-methyl-5-morpholin-4-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate Openeye Name: [2-(2-methyl-5-morpholinosulfonyl-anilino)-2-oxo-ethyl] 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate CAS Name: 2-(3,4-dimethoxyphenyl)-4-quinolinecarboxylic acid [2-[2-methyl-5-(4-morpholinylsulfonyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate Traditional Name: 2-(3,4-dimethoxyphenyl)cinchoninic acid [2-keto-2-(2-methyl-5-morpholinosulfonyl-anilino)ethyl] ester Formula: C31H31N3O8S MolecularWeight: 605.65814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)COC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC(=C(C=C5)OC)OC

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)COC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC(=C(C=C5)OC)OC

InChI

InChI=1S/C31H31N3O8S/c1-20-8-10-22(43(37,38)34-12-14-41-15-13-34)17-26(20)33-30(35)19-42-31(36)24-18-27(32-25-7-5-4-6-23(24)25)21-9-11-28(39-2)29(16-21)40-3/h4-11,16-18H,12-15,19H2,1-3H3,(H,33,35)