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

Systemtic Name: methyl (2S)-3-methyl-2-[(2-nitrophenyl)sulfonyl-prop-2-enyl-amino]butanoate Openeye Name: methyl (2S)-2-[allyl-(2-nitrophenyl)sulfonyl-amino]-3-methyl-butanoate CAS Name: (2S)-3-methyl-2-[(2-nitrophenyl)sulfonyl-prop-2-enylamino]butanoic acid methyl ester IUPAC Name: methyl (2S)-3-methyl-2-[(2-nitrophenyl)sulfonyl-prop-2-enylamino]butanoate Traditional Name: (2S)-2-[allyl-(2-nitrophenyl)sulfonyl-amino]-3-methyl-butyric acid methyl ester Formula: C15H20N2O6S MolecularWeight: 356.3941

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20N2O6S/c1-5-10-16(14(11(2)3)15(18)23-4)24(21,22)13-9-7-6-8-12(13)17(19)20/h5-9,11,14H,1,10H2,2-4H3/t14-/m0/s1