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

Systemtic Name: methyl (1Z,2S,3R)-4-nitro-3-phenyl-N-(phenylsulfonyl)-2-pyridin-2-yl-butanimidate Openeye Name: methyl (1Z,2S,3R)-N-(benzenesulfonyl)-4-nitro-3-phenyl-2-(2-pyridyl)butanimidate CAS Name: (1Z,2S,3R)-N-(benzenesulfonyl)-4-nitro-3-phenyl-2-(2-pyridinyl)butanimidic acid methyl ester IUPAC Name: methyl (1Z,2S,3R)-N-(benzenesulfonyl)-4-nitro-3-phenyl-2-pyridin-2-ylbutanimidate Traditional Name: (1Z,2S,3R)-N-besyl-4-nitro-3-phenyl-2-(2-pyridyl)butyrimidic acid methyl ester Formula: C22H21N3O5S MolecularWeight: 439.48424

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Descriptors Computed from Structure

Canonical SMILES:

COC(=NS(=O)(=O)C1=CC=CC=C1)C(C2=CC=CC=N2)C(C[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C22H21N3O5S/c1-30-22(24-31(28,29)18-12-6-3-7-13-18)21(20-14-8-9-15-23-20)19(16-25(26)27)17-10-4-2-5-11-17/h2-15,19,21H,16H2,1H3/b24-22-/t19-,21-/m0/s1