[2-[(4-morpholin-4-ylsulfonylphenyl)amino]-2-oxidanylidene-ethyl] 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate

Systemtic Name: [2-[(4-morpholin-4-ylsulfonylphenyl)amino]-2-oxidanylidene-ethyl] 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate Openeye Name: [2-(4-morpholinosulfonylanilino)-2-oxo-ethyl] 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate CAS Name: 2-(3,4-dimethoxyphenyl)-4-quinolinecarboxylic acid [2-[4-(4-morpholinylsulfonyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate Traditional Name: 2-(3,4-dimethoxyphenyl)cinchoninic acid [2-keto-2-(4-morpholinosulfonylanilino)ethyl] ester Formula: C30H29N3O8S MolecularWeight: 591.63156

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OCC(=O)NC4=CC=C(C=C4)S(=O)(=O)N5CCOCC5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OCC(=O)NC4=CC=C(C=C4)S(=O)(=O)N5CCOCC5)OC

InChI

InChI=1S/C30H29N3O8S/c1-38-27-12-7-20(17-28(27)39-2)26-18-24(23-5-3-4-6-25(23)32-26)30(35)41-19-29(34)31-21-8-10-22(11-9-21)42(36,37)33-13-15-40-16-14-33/h3-12,17-18H,13-16,19H2,1-2H3,(H,31,34)