methyl (2R)-2-[(4-methoxy-2-nitro-phenyl)sulfonyl-(2-oxidanylideneethyl)amino]-3-methyl-butanoate

Systemtic Name: methyl (2R)-2-[(4-methoxy-2-nitro-phenyl)sulfonyl-(2-oxidanylideneethyl)amino]-3-methyl-butanoate Openeye Name: methyl (2R)-2-[(4-methoxy-2-nitro-phenyl)sulfonyl-(2-oxoethyl)amino]-3-methyl-butanoate CAS Name: (2R)-2-[(4-methoxy-2-nitrophenyl)sulfonyl-(2-oxoethyl)amino]-3-methylbutanoic acid methyl ester IUPAC Name: methyl (2R)-2-[(4-methoxy-2-nitrophenyl)sulfonyl-(2-oxoethyl)amino]-3-methylbutanoate Traditional Name: (2R)-2-[2-ketoethyl-(4-methoxy-2-nitro-phenyl)sulfonyl-amino]-3-methyl-butyric acid methyl ester Formula: C15H20N2O8S MolecularWeight: 388.3929

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC)N(CC=O)S(=O)(=O)C1=C(C=C(C=C1)OC)[N+](=O)[O-]

Isomeric SMILES

CC(C)[C@H](C(=O)OC)N(CC=O)S(=O)(=O)C1=C(C=C(C=C1)OC)[N+](=O)[O-]

InChI

InChI=1S/C15H20N2O8S/c1-10(2)14(15(19)25-4)16(7-8-18)26(22,23)13-6-5-11(24-3)9-12(13)17(20)21/h5-6,8-10,14H,7H2,1-4H3/t14-/m1/s1