(1R,2R)-N-(cyanomethyl)-2-[(4-phenethylsulfanylphenyl)sulfonylmethyl]cyclohexane-1-carboxamide

Systemtic Name: (1R,2R)-N-(cyanomethyl)-2-[(4-phenethylsulfanylphenyl)sulfonylmethyl]cyclohexane-1-carboxamide Openeye Name: (1R,2R)-N-(cyanomethyl)-2-[(4-phenethylsulfanylphenyl)sulfonylmethyl]cyclohexanecarboxamide CAS Name: (1R,2R)-N-(cyanomethyl)-2-[[4-(phenethylthio)phenyl]sulfonylmethyl]-1-cyclohexanecarboxamide IUPAC Name: (1R,2R)-N-(cyanomethyl)-2-[(4-phenethylsulfanylphenyl)sulfonylmethyl]cyclohexane-1-carboxamide Traditional Name: (1R,2R)-N-(cyanomethyl)-2-[[4-(phenethylthio)phenyl]sulfonylmethyl]cyclohexanecarboxamide Formula: C24H28N2O3S2 MolecularWeight: 456.62072

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)CS(=O)(=O)C2=CC=C(C=C2)SCCC3=CC=CC=C3)C(=O)NCC#N

Isomeric SMILES

C1CC[C@H]([C@@H](C1)CS(=O)(=O)C2=CC=C(C=C2)SCCC3=CC=CC=C3)C(=O)NCC#N

InChI

InChI=1S/C24H28N2O3S2/c25-15-16-26-24(27)23-9-5-4-8-20(23)18-31(28,29)22-12-10-21(11-13-22)30-17-14-19-6-2-1-3-7-19/h1-3,6-7,10-13,20,23H,4-5,8-9,14,16-18H2,(H,26,27)/t20-,23+/m0/s1