methyl (1Z,2S,3R)-N-(4-chlorophenyl)sulfonyl-4-nitro-2,3-diphenyl-butanimidate

Systemtic Name: methyl (1Z,2S,3R)-N-(4-chlorophenyl)sulfonyl-4-nitro-2,3-diphenyl-butanimidate Openeye Name: methyl (1Z,2S,3R)-N-(4-chlorophenyl)sulfonyl-4-nitro-2,3-diphenyl-butanimidate CAS Name: (1Z,2S,3R)-N-(4-chlorophenyl)sulfonyl-4-nitro-2,3-diphenylbutanimidic acid methyl ester IUPAC Name: methyl (1Z,2S,3R)-N-(4-chlorophenyl)sulfonyl-4-nitro-2,3-diphenylbutanimidate Traditional Name: (1Z,2S,3R)-N-(4-chlorophenyl)sulfonyl-4-nitro-2,3-diphenyl-butyrimidic acid methyl ester Formula: C23H21ClN2O5S MolecularWeight: 472.94124

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21ClN2O5S/c1-31-23(25-32(29,30)20-14-12-19(24)13-15-20)22(18-10-6-3-7-11-18)21(16-26(27)28)17-8-4-2-5-9-17/h2-15,21-22H,16H2,1H3/b25-23-/t21-,22+/m0/s1