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

Systemtic Name: methyl (1Z,2S,3S)-N-methylsulfonyl-4-nitro-3-phenyl-2-pyridin-2-yl-butanimidate Openeye Name: methyl (1Z,2S,3S)-N-methylsulfonyl-4-nitro-3-phenyl-2-(2-pyridyl)butanimidate CAS Name: (1Z,2S,3S)-N-methylsulfonyl-4-nitro-3-phenyl-2-(2-pyridinyl)butanimidic acid methyl ester IUPAC Name: methyl (1Z,2S,3S)-N-methylsulfonyl-4-nitro-3-phenyl-2-pyridin-2-ylbutanimidate Traditional Name: (1Z,2S,3S)-N-mesyl-4-nitro-3-phenyl-2-(2-pyridyl)butyrimidic acid methyl ester Formula: C17H19N3O5S MolecularWeight: 377.41486

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Descriptors Computed from Structure

Canonical SMILES:

COC(=NS(=O)(=O)C)C(C1=CC=CC=N1)C(C[N+](=O)[O-])C2=CC=CC=C2

Isomeric SMILES

CO/C(=N\S(=O)(=O)C)/[C@H](C1=CC=CC=N1)[C@H](C[N+](=O)[O-])C2=CC=CC=C2

InChI

InChI=1S/C17H19N3O5S/c1-25-17(19-26(2,23)24)16(15-10-6-7-11-18-15)14(12-20(21)22)13-8-4-3-5-9-13/h3-11,14,16H,12H2,1-2H3/b19-17-/t14-,16+/m1/s1