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

Systemtic Name: (phenylmethyl) (1Z,2S,3S)-N-(4-methylphenyl)sulfonyl-4-nitro-2,3-diphenyl-butanimidate Openeye Name: benzyl (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 (phenylmethyl) ester IUPAC Name: benzyl (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 benzyl ester Formula: C30H28N2O5S MolecularWeight: 528.61872

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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)OCC4=CC=CC=C4

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)\OCC4=CC=CC=C4

InChI

InChI=1S/C30H28N2O5S/c1-23-17-19-27(20-18-23)38(35,36)31-30(37-22-24-11-5-2-6-12-24)29(26-15-9-4-10-16-26)28(21-32(33)34)25-13-7-3-8-14-25/h2-20,28-29H,21-22H2,1H3/b31-30-/t28-,29-/m1/s1