4-[(2R,3S,4S,5R)-5-methyl-1-(4-methylphenyl)sulfonyl-3-nitro-6-oxidanyl-4-phenyl-piperidin-2-yl]benzenecarbonitrile

Systemtic Name: 4-[(2R,3S,4S,5R)-5-methyl-1-(4-methylphenyl)sulfonyl-3-nitro-6-oxidanyl-4-phenyl-piperidin-2-yl]benzenecarbonitrile Openeye Name: 4-[(2R,3S,4S,5R)-6-hydroxy-5-methyl-3-nitro-4-phenyl-1-(p-tolylsulfonyl)-2-piperidyl]benzonitrile CAS Name: 4-[(2R,3S,4S,5R)-6-hydroxy-5-methyl-1-(4-methylphenyl)sulfonyl-3-nitro-4-phenyl-2-piperidinyl]benzonitrile IUPAC Name: 4-[(2R,3S,4S,5R)-6-hydroxy-5-methyl-1-(4-methylphenyl)sulfonyl-3-nitro-4-phenylpiperidin-2-yl]benzonitrile Traditional Name: 4-[(2R,3S,4S,5R)-6-hydroxy-5-methyl-3-nitro-4-phenyl-1-tosyl-2-piperidyl]benzonitrile Formula: C26H25N3O5S MolecularWeight: 491.5588

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(N(C1O)S(=O)(=O)C2=CC=C(C=C2)C)C3=CC=C(C=C3)C#N)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

C[C@@H]1[C@H]([C@@H]([C@H](N(C1O)S(=O)(=O)C2=CC=C(C=C2)C)C3=CC=C(C=C3)C#N)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C26H25N3O5S/c1-17-8-14-22(15-9-17)35(33,34)28-24(21-12-10-19(16-27)11-13-21)25(29(31)32)23(18(2)26(28)30)20-6-4-3-5-7-20/h3-15,18,23-26,30H,1-2H3/t18-,23+,24-,25+,26?/m1/s1