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

Systemtic Name: (1R,2R)-2-[(4-tert-butylphenyl)sulfonylmethyl]-N-(cyanomethyl)cyclohexane-1-carboxamide Openeye Name: (1R,2R)-2-[(4-tert-butylphenyl)sulfonylmethyl]-N-(cyanomethyl)cyclohexanecarboxamide CAS Name: (1R,2R)-2-[(4-tert-butylphenyl)sulfonylmethyl]-N-(cyanomethyl)-1-cyclohexanecarboxamide IUPAC Name: (1R,2R)-2-[(4-tert-butylphenyl)sulfonylmethyl]-N-(cyanomethyl)cyclohexane-1-carboxamide Traditional Name: (1R,2R)-2-[(4-tert-butylphenyl)sulfonylmethyl]-N-(cyanomethyl)cyclohexanecarboxamide Formula: C20H28N2O3S MolecularWeight: 376.51292

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N2O3S/c1-20(2,3)16-8-10-17(11-9-16)26(24,25)14-15-6-4-5-7-18(15)19(23)22-13-12-21/h8-11,15,18H,4-7,13-14H2,1-3H3,(H,22,23)/t15-,18+/m0/s1