methyl (2S,3R)-2-[(2-nitrophenyl)sulfonyl-prop-2-ynyl-amino]-3-oxidanyl-butanoate

Systemtic Name: methyl (2S,3R)-2-[(2-nitrophenyl)sulfonyl-prop-2-ynyl-amino]-3-oxidanyl-butanoate Openeye Name: methyl (2S,3R)-3-hydroxy-2-[(2-nitrophenyl)sulfonyl-prop-2-ynyl-amino]butanoate CAS Name: (2S,3R)-3-hydroxy-2-[(2-nitrophenyl)sulfonyl-prop-2-ynylamino]butanoic acid methyl ester IUPAC Name: methyl (2S,3R)-3-hydroxy-2-[(2-nitrophenyl)sulfonyl-prop-2-ynylamino]butanoate Traditional Name: (2S,3R)-3-hydroxy-2-[(2-nitrophenyl)sulfonyl-propargyl-amino]butyric acid methyl ester Formula: C14H16N2O7S MolecularWeight: 356.35104

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16N2O7S/c1-4-9-15(13(10(2)17)14(18)23-3)24(21,22)12-8-6-5-7-11(12)16(19)20/h1,5-8,10,13,17H,9H2,2-3H3/t10-,13+/m1/s1