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

Systemtic Name: [2-(methylamino)-2-oxidanylidene-ethyl] (2S)-3-methyl-2-[(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)amino]butanoate Openeye Name: [2-(methylamino)-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-(methylamino)-2-oxoethyl] ester IUPAC Name: [2-(methylamino)-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-keto-2-(methylamino)ethyl] ester Formula: C18H26N4O8S MolecularWeight: 458.48604

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N4O8S/c1-12(2)17(18(24)30-11-16(23)19-3)20-14-5-4-13(10-15(14)22(25)26)31(27,28)21-6-8-29-9-7-21/h4-5,10,12,17,20H,6-9,11H2,1-3H3,(H,19,23)/t17-/m0/s1