2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(3-methylsulfanylphenyl)ethanamide

Systemtic Name: 2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(3-methylsulfanylphenyl)ethanamide Openeye Name: 2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(3-methylsulfanylphenyl)acetamide CAS Name: 2-[4-(2,5-dimethylphenyl)sulfonyl-1-piperazinyl]-N-[3-(methylthio)phenyl]acetamide IUPAC Name: 2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(3-methylsulfanylphenyl)acetamide Traditional Name: 2-[4-(2,5-dimethylphenyl)sulfonylpiperazino]-N-[3-(methylthio)phenyl]acetamide Formula: C21H27N3O3S2 MolecularWeight: 433.58738

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)CC(=O)NC3=CC(=CC=C3)SC

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)CC(=O)NC3=CC(=CC=C3)SC

InChI

InChI=1S/C21H27N3O3S2/c1-16-7-8-17(2)20(13-16)29(26,27)24-11-9-23(10-12-24)15-21(25)22-18-5-4-6-19(14-18)28-3/h4-8,13-14H,9-12,15H2,1-3H3,(H,22,25)