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

Systemtic Name: methyl (1Z,2S,3S)-3-(4-methoxyphenyl)-N-methylsulfonyl-4-nitro-2-phenyl-butanimidate Openeye Name: methyl (1Z,2S,3S)-3-(4-methoxyphenyl)-N-methylsulfonyl-4-nitro-2-phenyl-butanimidate CAS Name: (1Z,2S,3S)-3-(4-methoxyphenyl)-N-methylsulfonyl-4-nitro-2-phenylbutanimidic acid methyl ester IUPAC Name: methyl (1Z,2S,3S)-3-(4-methoxyphenyl)-N-methylsulfonyl-4-nitro-2-phenylbutanimidate Traditional Name: (1Z,2S,3S)-N-mesyl-3-(4-methoxyphenyl)-4-nitro-2-phenyl-butyrimidic acid methyl ester Formula: C19H22N2O6S MolecularWeight: 406.45278

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(C[N+](=O)[O-])C(C2=CC=CC=C2)C(=NS(=O)(=O)C)OC

Isomeric SMILES

COC1=CC=C(C=C1)[C@@H](C[N+](=O)[O-])[C@@H](C2=CC=CC=C2)/C(=N/S(=O)(=O)C)/OC

InChI

InChI=1S/C19H22N2O6S/c1-26-16-11-9-14(10-12-16)17(13-21(22)23)18(15-7-5-4-6-8-15)19(27-2)20-28(3,24)25/h4-12,17-18H,13H2,1-3H3/b20-19-/t17-,18-/m1/s1