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

Systemtic Name: methyl (2R)-2-[(4-methoxy-2-nitro-phenyl)sulfonyl-prop-2-enyl-amino]-3-methyl-butanoate Openeye Name: methyl (2R)-2-[allyl-(4-methoxy-2-nitro-phenyl)sulfonyl-amino]-3-methyl-butanoate CAS Name: (2R)-2-[(4-methoxy-2-nitrophenyl)sulfonyl-prop-2-enylamino]-3-methylbutanoic acid methyl ester IUPAC Name: methyl (2R)-2-[(4-methoxy-2-nitrophenyl)sulfonyl-prop-2-enylamino]-3-methylbutanoate Traditional Name: (2R)-2-[allyl-(4-methoxy-2-nitro-phenyl)sulfonyl-amino]-3-methyl-butyric acid methyl ester Formula: C16H22N2O7S MolecularWeight: 386.42008

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O7S/c1-6-9-17(15(11(2)3)16(19)25-5)26(22,23)14-8-7-12(24-4)10-13(14)18(20)21/h6-8,10-11,15H,1,9H2,2-5H3/t15-/m1/s1