prop-2-enyl (1Z,2S,3S)-N-(4-methylphenyl)sulfonyl-4-nitro-2,3-diphenyl-butanimidate

Systemtic Name: prop-2-enyl (1Z,2S,3S)-N-(4-methylphenyl)sulfonyl-4-nitro-2,3-diphenyl-butanimidate Openeye Name: allyl (1Z,2S,3S)-4-nitro-2,3-diphenyl-N-(p-tolylsulfonyl)butanimidate CAS Name: (1Z,2S,3S)-N-(4-methylphenyl)sulfonyl-4-nitro-2,3-diphenylbutanimidic acid prop-2-enyl ester IUPAC Name: prop-2-enyl (1Z,2S,3S)-N-(4-methylphenyl)sulfonyl-4-nitro-2,3-diphenylbutanimidate Traditional Name: (1Z,2S,3S)-4-nitro-2,3-diphenyl-N-tosyl-butyrimidic acid allyl ester Formula: C26H26N2O5S MolecularWeight: 478.56004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N=C(C(C2=CC=CC=C2)C(C[N+](=O)[O-])C3=CC=CC=C3)OCC=C

Isomeric SMILES

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

InChI

InChI=1S/C26H26N2O5S/c1-3-18-33-26(27-34(31,32)23-16-14-20(2)15-17-23)25(22-12-8-5-9-13-22)24(19-28(29)30)21-10-6-4-7-11-21/h3-17,24-25H,1,18-19H2,2H3/b27-26-/t24-,25-/m1/s1