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

Systemtic Name: methyl (1Z,2S,3S)-2-(4-methylphenyl)-N-(4-methylphenyl)sulfonyl-4-nitro-3-phenyl-butanimidate Openeye Name: methyl (1Z,2S,3S)-4-nitro-3-phenyl-2-(p-tolyl)-N-(p-tolylsulfonyl)butanimidate CAS Name: (1Z,2S,3S)-2-(4-methylphenyl)-N-(4-methylphenyl)sulfonyl-4-nitro-3-phenylbutanimidic acid methyl ester IUPAC Name: methyl (1Z,2S,3S)-2-(4-methylphenyl)-N-(4-methylphenyl)sulfonyl-4-nitro-3-phenylbutanimidate Traditional Name: (1Z,2S,3S)-4-nitro-3-phenyl-2-(p-tolyl)-N-tosyl-butyrimidic acid methyl ester Formula: C25H26N2O5S MolecularWeight: 466.54934

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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)C3=CC=C(C=C3)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)C3=CC=C(C=C3)C)/OC

InChI

InChI=1S/C25H26N2O5S/c1-18-9-13-21(14-10-18)24(23(17-27(28)29)20-7-5-4-6-8-20)25(32-3)26-33(30,31)22-15-11-19(2)12-16-22/h4-16,23-24H,17H2,1-3H3/b26-25-/t23-,24-/m1/s1