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

Systemtic Name: [(2S)-1-[(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-methylpropanoate Openeye Name: [(1S)-1-methyl-2-(4-methyl-3-morpholinosulfonyl-anilino)-2-oxo-ethyl] 2-methylpropanoate CAS Name: 2-methylpropanoic 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] 2-methylpropanoate Traditional Name: 2-methylpropionic acid [(1S)-2-keto-1-methyl-2-(4-methyl-3-morpholinosulfonyl-anilino)ethyl] ester Formula: C18H26N2O6S MolecularWeight: 398.47384

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N2O6S/c1-12(2)18(22)26-14(4)17(21)19-15-6-5-13(3)16(11-15)27(23,24)20-7-9-25-10-8-20/h5-6,11-12,14H,7-10H2,1-4H3,(H,19,21)/t14-/m0/s1