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

Systemtic Name: methyl (1Z,2S,3R)-N-(4-methylphenyl)sulfonyl-4-nitro-3-phenyl-2-pyridin-2-yl-butanimidate Openeye Name: methyl (1Z,2S,3R)-4-nitro-3-phenyl-N-(p-tolylsulfonyl)-2-(2-pyridyl)butanimidate CAS Name: (1Z,2S,3R)-N-(4-methylphenyl)sulfonyl-4-nitro-3-phenyl-2-(2-pyridinyl)butanimidic acid methyl ester IUPAC Name: methyl (1Z,2S,3R)-N-(4-methylphenyl)sulfonyl-4-nitro-3-phenyl-2-pyridin-2-ylbutanimidate Traditional Name: (1Z,2S,3R)-4-nitro-3-phenyl-2-(2-pyridyl)-N-tosyl-butyrimidic acid methyl ester Formula: C23H23N3O5S MolecularWeight: 453.51082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N=C(C(C2=CC=CC=N2)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=N2)[C@@H](C[N+](=O)[O-])C3=CC=CC=C3)\OC

InChI

InChI=1S/C23H23N3O5S/c1-17-11-13-19(14-12-17)32(29,30)25-23(31-2)22(21-10-6-7-15-24-21)20(16-26(27)28)18-8-4-3-5-9-18/h3-15,20,22H,16H2,1-2H3/b25-23-/t20-,22-/m0/s1