2-[4-(4-cyanophenyl)sulfonyl-3,5-dimethyl-piperazin-1-yl]-N-(2-methylphenyl)ethanamide

Systemtic Name: 2-[4-(4-cyanophenyl)sulfonyl-3,5-dimethyl-piperazin-1-yl]-N-(2-methylphenyl)ethanamide Openeye Name: 2-[4-(4-cyanophenyl)sulfonyl-3,5-dimethyl-piperazin-1-yl]-N-(o-tolyl)acetamide CAS Name: 2-[4-(4-cyanophenyl)sulfonyl-3,5-dimethyl-1-piperazinyl]-N-(2-methylphenyl)acetamide IUPAC Name: 2-[4-(4-cyanophenyl)sulfonyl-3,5-dimethylpiperazin-1-yl]-N-(2-methylphenyl)acetamide Traditional Name: 2-[4-(4-cyanophenyl)sulfonyl-3,5-dimethyl-piperazino]-N-(o-tolyl)acetamide Formula: C22H26N4O3S MolecularWeight: 426.53184

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(N1S(=O)(=O)C2=CC=C(C=C2)C#N)C)CC(=O)NC3=CC=CC=C3C

Isomeric SMILES

CC1CN(CC(N1S(=O)(=O)C2=CC=C(C=C2)C#N)C)CC(=O)NC3=CC=CC=C3C

InChI

InChI=1S/C22H26N4O3S/c1-16-6-4-5-7-21(16)24-22(27)15-25-13-17(2)26(18(3)14-25)30(28,29)20-10-8-19(12-23)9-11-20/h4-11,17-18H,13-15H2,1-3H3,(H,24,27)