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

Systemtic Name: (1R,2R)-2-[(4-acetamidophenyl)sulfonylmethyl]-N-(cyanomethyl)cyclohexane-1-carboxamide Openeye Name: (1R,2R)-2-[(4-acetamidophenyl)sulfonylmethyl]-N-(cyanomethyl)cyclohexanecarboxamide CAS Name: (1R,2R)-2-[(4-acetamidophenyl)sulfonylmethyl]-N-(cyanomethyl)-1-cyclohexanecarboxamide IUPAC Name: (1R,2R)-2-[(4-acetamidophenyl)sulfonylmethyl]-N-(cyanomethyl)cyclohexane-1-carboxamide Traditional Name: (1R,2R)-2-[(4-acetamidophenyl)sulfonylmethyl]-N-(cyanomethyl)cyclohexanecarboxamide Formula: C18H23N3O4S MolecularWeight: 377.45792

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)CC2CCCCC2C(=O)NCC#N

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)C[C@@H]2CCCC[C@H]2C(=O)NCC#N

InChI

InChI=1S/C18H23N3O4S/c1-13(22)21-15-6-8-16(9-7-15)26(24,25)12-14-4-2-3-5-17(14)18(23)20-11-10-19/h6-9,14,17H,2-5,11-12H2,1H3,(H,20,23)(H,21,22)/t14-,17+/m0/s1