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

Systemtic Name: methyl (1Z,2S,3R)-3-(4-methoxyphenyl)-N-(4-methylphenyl)sulfonyl-4-nitro-2-phenyl-butanimidate Openeye Name: methyl (1Z,2S,3R)-3-(4-methoxyphenyl)-4-nitro-2-phenyl-N-(p-tolylsulfonyl)butanimidate CAS Name: (1Z,2S,3R)-3-(4-methoxyphenyl)-N-(4-methylphenyl)sulfonyl-4-nitro-2-phenylbutanimidic acid methyl ester IUPAC Name: methyl (1Z,2S,3R)-3-(4-methoxyphenyl)-N-(4-methylphenyl)sulfonyl-4-nitro-2-phenylbutanimidate Traditional Name: (1Z,2S,3R)-3-(4-methoxyphenyl)-4-nitro-2-phenyl-N-tosyl-butyrimidic acid methyl ester Formula: C25H26N2O6S MolecularWeight: 482.54874

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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=C(C=C3)OC)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=C(C=C3)OC)\OC

InChI

InChI=1S/C25H26N2O6S/c1-18-9-15-22(16-10-18)34(30,31)26-25(33-3)24(20-7-5-4-6-8-20)23(17-27(28)29)19-11-13-21(32-2)14-12-19/h4-16,23-24H,17H2,1-3H3/b26-25-/t23-,24+/m0/s1