methyl (2S)-3-methyl-2-[(2-nitrophenyl)sulfonyl-pent-4-enyl-amino]butanoate

Systemtic Name: methyl (2S)-3-methyl-2-[(2-nitrophenyl)sulfonyl-pent-4-enyl-amino]butanoate Openeye Name: methyl (2S)-3-methyl-2-[(2-nitrophenyl)sulfonyl-pent-4-enyl-amino]butanoate CAS Name: (2S)-3-methyl-2-[(2-nitrophenyl)sulfonyl-pent-4-enylamino]butanoic acid methyl ester IUPAC Name: methyl (2S)-3-methyl-2-[(2-nitrophenyl)sulfonyl-pent-4-enylamino]butanoate Traditional Name: (2S)-3-methyl-2-[(2-nitrophenyl)sulfonyl-pent-4-enyl-amino]butyric acid methyl ester Formula: C17H24N2O6S MolecularWeight: 384.44726

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N2O6S/c1-5-6-9-12-18(16(13(2)3)17(20)25-4)26(23,24)15-11-8-7-10-14(15)19(21)22/h5,7-8,10-11,13,16H,1,6,9,12H2,2-4H3/t16-/m0/s1