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

Systemtic Name: methyl (1Z,2S,3R)-N-(4-methylphenyl)sulfonyl-4-nitro-2,3-diphenyl-butanimidate Openeye Name: methyl (1Z,2S,3R)-4-nitro-2,3-diphenyl-N-(p-tolylsulfonyl)butanimidate CAS Name: (1Z,2S,3R)-N-(4-methylphenyl)sulfonyl-4-nitro-2,3-diphenylbutanimidic acid methyl ester IUPAC Name: methyl (1Z,2S,3R)-N-(4-methylphenyl)sulfonyl-4-nitro-2,3-diphenylbutanimidate Traditional Name: (1Z,2S,3R)-4-nitro-2,3-diphenyl-N-tosyl-butyrimidic acid methyl ester Formula: C24H24N2O5S MolecularWeight: 452.52276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N=C(C(C2=CC=CC=C2)C(C[N+](=O)[O-])C3=CC=CC=C3)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)/N=C(/[C@H](C2=CC=CC=C2)[C@@H](C[N+](=O)[O-])C3=CC=CC=C3)\OC

InChI

InChI=1S/C24H24N2O5S/c1-18-13-15-21(16-14-18)32(29,30)25-24(31-2)23(20-11-7-4-8-12-20)22(17-26(27)28)19-9-5-3-6-10-19/h3-16,22-23H,17H2,1-2H3/b25-24-/t22-,23+/m0/s1