(1R,2R)-N-(cyanomethyl)-2-[(4-thiophen-3-ylphenyl)sulfonylmethyl]cyclohexane-1-carboxamide

Systemtic Name: (1R,2R)-N-(cyanomethyl)-2-[(4-thiophen-3-ylphenyl)sulfonylmethyl]cyclohexane-1-carboxamide Openeye Name: (1R,2R)-N-(cyanomethyl)-2-[[4-(3-thienyl)phenyl]sulfonylmethyl]cyclohexanecarboxamide CAS Name: (1R,2R)-N-(cyanomethyl)-2-[[4-(3-thiophenyl)phenyl]sulfonylmethyl]-1-cyclohexanecarboxamide IUPAC Name: (1R,2R)-N-(cyanomethyl)-2-[(4-thiophen-3-ylphenyl)sulfonylmethyl]cyclohexane-1-carboxamide Traditional Name: (1R,2R)-N-(cyanomethyl)-2-[[4-(3-thienyl)phenyl]sulfonylmethyl]cyclohexanecarboxamide Formula: C20H22N2O3S2 MolecularWeight: 402.53028

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O3S2/c21-10-11-22-20(23)19-4-2-1-3-17(19)14-27(24,25)18-7-5-15(6-8-18)16-9-12-26-13-16/h5-9,12-13,17,19H,1-4,11,14H2,(H,22,23)/t17-,19+/m0/s1