[(2S)-1-[(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 3,3-dimethylbutanoate

Systemtic Name: [(2S)-1-[(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 3,3-dimethylbutanoate Openeye Name: [(1S)-1-methyl-2-(4-methyl-3-morpholinosulfonyl-anilino)-2-oxo-ethyl] 3,3-dimethylbutanoate CAS Name: 3,3-dimethylbutanoic acid [(2S)-1-[4-methyl-3-(4-morpholinylsulfonyl)anilino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-methyl-3-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl] 3,3-dimethylbutanoate Traditional Name: 3,3-dimethylbutyric acid [(1S)-2-keto-1-methyl-2-(4-methyl-3-morpholinosulfonyl-anilino)ethyl] ester Formula: C20H30N2O6S MolecularWeight: 426.527

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C(C)OC(=O)CC(C)(C)C)S(=O)(=O)N2CCOCC2

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)[C@H](C)OC(=O)CC(C)(C)C)S(=O)(=O)N2CCOCC2

InChI

InChI=1S/C20H30N2O6S/c1-14-6-7-16(12-17(14)29(25,26)22-8-10-27-11-9-22)21-19(24)15(2)28-18(23)13-20(3,4)5/h6-7,12,15H,8-11,13H2,1-5H3,(H,21,24)/t15-/m0/s1