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

Systemtic Name: propyl (1Z,2S,3S)-N-(4-methylphenyl)sulfonyl-4-nitro-2,3-diphenyl-butanimidate Openeye Name: propyl (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 propyl ester IUPAC Name: propyl (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 propyl ester Formula: C26H28N2O5S MolecularWeight: 480.57592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H28N2O5S/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/h4-17,24-25H,3,18-19H2,1-2H3/b27-26-/t24-,25-/m1/s1