(2-azanyl-2-oxidanylidene-ethyl) (2S)-3-methyl-2-[(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)amino]butanoate

Systemtic Name: (2-azanyl-2-oxidanylidene-ethyl) (2S)-3-methyl-2-[(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)amino]butanoate Openeye Name: (2-amino-2-oxo-ethyl) (2S)-3-methyl-2-(4-morpholinosulfonyl-2-nitro-anilino)butanoate CAS Name: (2S)-3-methyl-2-[4-(4-morpholinylsulfonyl)-2-nitroanilino]butanoic acid (2-amino-2-oxoethyl) ester IUPAC Name: (2-amino-2-oxoethyl) (2S)-3-methyl-2-(4-morpholin-4-ylsulfonyl-2-nitroanilino)butanoate Traditional Name: (2S)-3-methyl-2-(4-morpholinosulfonyl-2-nitro-anilino)butyric acid (2-amino-2-keto-ethyl) ester Formula: C17H24N4O8S MolecularWeight: 444.45946

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)N)NC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)[N+](=O)[O-]

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC(=O)N)NC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)[N+](=O)[O-]

InChI

InChI=1S/C17H24N4O8S/c1-11(2)16(17(23)29-10-15(18)22)19-13-4-3-12(9-14(13)21(24)25)30(26,27)20-5-7-28-8-6-20/h3-4,9,11,16,19H,5-8,10H2,1-2H3,(H2,18,22)/t16-/m0/s1