N-(cyanomethyl)-4-methyl-2-[(4-methylsulfanylphenyl)sulfonylmethyl]cyclopentane-1-carboxamide

Systemtic Name: N-(cyanomethyl)-4-methyl-2-[(4-methylsulfanylphenyl)sulfonylmethyl]cyclopentane-1-carboxamide Openeye Name: N-(cyanomethyl)-4-methyl-2-[(4-methylsulfanylphenyl)sulfonylmethyl]cyclopentanecarboxamide CAS Name: N-(cyanomethyl)-4-methyl-2-[[4-(methylthio)phenyl]sulfonylmethyl]-1-cyclopentanecarboxamide IUPAC Name: N-(cyanomethyl)-4-methyl-2-[(4-methylsulfanylphenyl)sulfonylmethyl]cyclopentane-1-carboxamide Traditional Name: N-(cyanomethyl)-4-methyl-2-[[4-(methylthio)phenyl]sulfonylmethyl]cyclopentanecarboxamide Formula: C17H22N2O3S2 MolecularWeight: 366.49818

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C(C1)C(=O)NCC#N)CS(=O)(=O)C2=CC=C(C=C2)SC

Isomeric SMILES

CC1CC(C(C1)C(=O)NCC#N)CS(=O)(=O)C2=CC=C(C=C2)SC

InChI

InChI=1S/C17H22N2O3S2/c1-12-9-13(16(10-12)17(20)19-8-7-18)11-24(21,22)15-5-3-14(23-2)4-6-15/h3-6,12-13,16H,8-11H2,1-2H3,(H,19,20)