1-(2,5-dimethylphenyl)sulfonyl-N-(3-methylsulfanylphenyl)cyclopentane-1-carboxamide

Systemtic Name: 1-(2,5-dimethylphenyl)sulfonyl-N-(3-methylsulfanylphenyl)cyclopentane-1-carboxamide Openeye Name: 1-(2,5-dimethylphenyl)sulfonyl-N-(3-methylsulfanylphenyl)cyclopentanecarboxamide CAS Name: 1-(2,5-dimethylphenyl)sulfonyl-N-[3-(methylthio)phenyl]-1-cyclopentanecarboxamide IUPAC Name: 1-(2,5-dimethylphenyl)sulfonyl-N-(3-methylsulfanylphenyl)cyclopentane-1-carboxamide Traditional Name: 1-(2,5-dimethylphenyl)sulfonyl-N-[3-(methylthio)phenyl]cyclopentanecarboxamide Formula: C21H25NO3S2 MolecularWeight: 403.5581

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)C2(CCCC2)C(=O)NC3=CC(=CC=C3)SC

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)C2(CCCC2)C(=O)NC3=CC(=CC=C3)SC

InChI

InChI=1S/C21H25NO3S2/c1-15-9-10-16(2)19(13-15)27(24,25)21(11-4-5-12-21)20(23)22-17-7-6-8-18(14-17)26-3/h6-10,13-14H,4-5,11-12H2,1-3H3,(H,22,23)