(1R,2R)-N-(cyanomethyl)-2-[(4-morpholin-4-ylphenyl)sulfanylmethyl]cyclohexane-1-carboxamide

Systemtic Name: (1R,2R)-N-(cyanomethyl)-2-[(4-morpholin-4-ylphenyl)sulfanylmethyl]cyclohexane-1-carboxamide Openeye Name: (1R,2R)-N-(cyanomethyl)-2-[(4-morpholinophenyl)sulfanylmethyl]cyclohexanecarboxamide CAS Name: (1R,2R)-N-(cyanomethyl)-2-[[[4-(4-morpholinyl)phenyl]thio]methyl]-1-cyclohexanecarboxamide IUPAC Name: (1R,2R)-N-(cyanomethyl)-2-[(4-morpholin-4-ylphenyl)sulfanylmethyl]cyclohexane-1-carboxamide Traditional Name: (1R,2R)-N-(cyanomethyl)-2-[[(4-morpholinophenyl)thio]methyl]cyclohexanecarboxamide Formula: C20H27N3O2S MolecularWeight: 373.51228

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)CSC2=CC=C(C=C2)N3CCOCC3)C(=O)NCC#N

Isomeric SMILES

C1CC[C@H]([C@@H](C1)CSC2=CC=C(C=C2)N3CCOCC3)C(=O)NCC#N

InChI

InChI=1S/C20H27N3O2S/c21-9-10-22-20(24)19-4-2-1-3-16(19)15-26-18-7-5-17(6-8-18)23-11-13-25-14-12-23/h5-8,16,19H,1-4,10-15H2,(H,22,24)/t16-,19+/m0/s1