[(2S)-1-[(4-morpholin-4-ylsulfonylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2,4-dimethylquinoline-3-carboxylate

Systemtic Name: [(2S)-1-[(4-morpholin-4-ylsulfonylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2,4-dimethylquinoline-3-carboxylate Openeye Name: [(1S)-1-methyl-2-(4-morpholinosulfonylanilino)-2-oxo-ethyl] 2,4-dimethylquinoline-3-carboxylate CAS Name: 2,4-dimethyl-3-quinolinecarboxylic acid [(2S)-1-[4-(4-morpholinylsulfonyl)anilino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl] 2,4-dimethylquinoline-3-carboxylate Traditional Name: 2,4-dimethylquinoline-3-carboxylic acid [(1S)-2-keto-1-methyl-2-(4-morpholinosulfonylanilino)ethyl] ester Formula: C25H27N3O6S MolecularWeight: 497.56338

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)C)C(=O)OC(C)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)C)C(=O)O[C@@H](C)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C25H27N3O6S/c1-16-21-6-4-5-7-22(21)26-17(2)23(16)25(30)34-18(3)24(29)27-19-8-10-20(11-9-19)35(31,32)28-12-14-33-15-13-28/h4-11,18H,12-15H2,1-3H3,(H,27,29)/t18-/m0/s1