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

Systemtic Name: [(2S)-1-[(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 4-methylpentanoate Openeye Name: [(1S)-1-methyl-2-(4-methyl-3-morpholinosulfonyl-anilino)-2-oxo-ethyl] 4-methylpentanoate CAS Name: 4-methylpentanoic 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] 4-methylpentanoate Traditional Name: 4-methylvaleric 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)CCC(C)C)S(=O)(=O)N2CCOCC2

Isomeric SMILES

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

InChI

InChI=1S/C20H30N2O6S/c1-14(2)5-8-19(23)28-16(4)20(24)21-17-7-6-15(3)18(13-17)29(25,26)22-9-11-27-12-10-22/h6-7,13-14,16H,5,8-12H2,1-4H3,(H,21,24)/t16-/m0/s1