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

Systemtic Name: methyl (1Z,2S,3R)-3-(4-bromophenyl)-N-(4-methylphenyl)sulfonyl-4-nitro-2-phenyl-butanimidate Openeye Name: methyl (1Z,2S,3R)-3-(4-bromophenyl)-4-nitro-2-phenyl-N-(p-tolylsulfonyl)butanimidate CAS Name: (1Z,2S,3R)-3-(4-bromophenyl)-N-(4-methylphenyl)sulfonyl-4-nitro-2-phenylbutanimidic acid methyl ester IUPAC Name: methyl (1Z,2S,3R)-3-(4-bromophenyl)-N-(4-methylphenyl)sulfonyl-4-nitro-2-phenylbutanimidate Traditional Name: (1Z,2S,3R)-3-(4-bromophenyl)-4-nitro-2-phenyl-N-tosyl-butyrimidic acid methyl ester Formula: C24H23BrN2O5S MolecularWeight: 531.41882

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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)Br)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)Br)\OC

InChI

InChI=1S/C24H23BrN2O5S/c1-17-8-14-21(15-9-17)33(30,31)26-24(32-2)23(19-6-4-3-5-7-19)22(16-27(28)29)18-10-12-20(25)13-11-18/h3-15,22-23H,16H2,1-2H3/b26-24-/t22-,23+/m0/s1