methyl (2S)-2-[(2-nitrophenyl)sulfonyl-prop-2-enyl-amino]-3-oxidanyl-propanoate

Systemtic Name: methyl (2S)-2-[(2-nitrophenyl)sulfonyl-prop-2-enyl-amino]-3-oxidanyl-propanoate Openeye Name: methyl (2S)-2-[allyl-(2-nitrophenyl)sulfonyl-amino]-3-hydroxy-propanoate CAS Name: (2S)-3-hydroxy-2-[(2-nitrophenyl)sulfonyl-prop-2-enylamino]propanoic acid methyl ester IUPAC Name: methyl (2S)-3-hydroxy-2-[(2-nitrophenyl)sulfonyl-prop-2-enylamino]propanoate Traditional Name: (2S)-2-[allyl-(2-nitrophenyl)sulfonyl-amino]-3-hydroxy-propionic acid methyl ester Formula: C13H16N2O7S MolecularWeight: 344.34034

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2O7S/c1-3-8-14(11(9-16)13(17)22-2)23(20,21)12-7-5-4-6-10(12)15(18)19/h3-7,11,16H,1,8-9H2,2H3/t11-/m0/s1