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

Systemtic Name: (1R,2R)-N-(cyanomethyl)-2-[(4-methylsulfonylphenyl)sulfonylmethyl]cyclohexane-1-carboxamide Openeye Name: (1R,2R)-N-(cyanomethyl)-2-[(4-methylsulfonylphenyl)sulfonylmethyl]cyclohexanecarboxamide CAS Name: (1R,2R)-N-(cyanomethyl)-2-[(4-methylsulfonylphenyl)sulfonylmethyl]-1-cyclohexanecarboxamide IUPAC Name: (1R,2R)-N-(cyanomethyl)-2-[(4-methylsulfonylphenyl)sulfonylmethyl]cyclohexane-1-carboxamide Traditional Name: (1R,2R)-N-(cyanomethyl)-2-[(4-mesylphenyl)sulfonylmethyl]cyclohexanecarboxamide Formula: C17H22N2O5S2 MolecularWeight: 398.49698

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)CC2CCCCC2C(=O)NCC#N

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)C[C@@H]2CCCC[C@H]2C(=O)NCC#N

InChI

InChI=1S/C17H22N2O5S2/c1-25(21,22)14-6-8-15(9-7-14)26(23,24)12-13-4-2-3-5-16(13)17(20)19-11-10-18/h6-9,13,16H,2-5,11-12H2,1H3,(H,19,20)/t13-,16+/m0/s1