methyl (1Z,2S,3S)-2-(4-methylphenyl)-N-methylsulfonyl-4-nitro-3-phenyl-butanimidate

Systemtic Name: methyl (1Z,2S,3S)-2-(4-methylphenyl)-N-methylsulfonyl-4-nitro-3-phenyl-butanimidate Openeye Name: methyl (1Z,2S,3S)-N-methylsulfonyl-4-nitro-3-phenyl-2-(p-tolyl)butanimidate CAS Name: (1Z,2S,3S)-2-(4-methylphenyl)-N-methylsulfonyl-4-nitro-3-phenylbutanimidic acid methyl ester IUPAC Name: methyl (1Z,2S,3S)-2-(4-methylphenyl)-N-methylsulfonyl-4-nitro-3-phenylbutanimidate Traditional Name: (1Z,2S,3S)-N-mesyl-4-nitro-3-phenyl-2-(p-tolyl)butyrimidic acid methyl ester Formula: C19H22N2O5S MolecularWeight: 390.45338

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C(C[N+](=O)[O-])C2=CC=CC=C2)C(=NS(=O)(=O)C)OC

Isomeric SMILES

CC1=CC=C(C=C1)[C@H]([C@H](C[N+](=O)[O-])C2=CC=CC=C2)/C(=N/S(=O)(=O)C)/OC

InChI

InChI=1S/C19H22N2O5S/c1-14-9-11-16(12-10-14)18(19(26-2)20-27(3,24)25)17(13-21(22)23)15-7-5-4-6-8-15/h4-12,17-18H,13H2,1-3H3/b20-19-/t17-,18-/m1/s1