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

Systemtic Name: 2-[3,5-dimethyl-4-(3-methylsulfonylphenyl)sulfonyl-piperazin-1-yl]-N-(2-methylphenyl)ethanamide Openeye Name: 2-[3,5-dimethyl-4-(3-methylsulfonylphenyl)sulfonyl-piperazin-1-yl]-N-(o-tolyl)acetamide CAS Name: 2-[3,5-dimethyl-4-(3-methylsulfonylphenyl)sulfonyl-1-piperazinyl]-N-(2-methylphenyl)acetamide IUPAC Name: 2-[3,5-dimethyl-4-(3-methylsulfonylphenyl)sulfonylpiperazin-1-yl]-N-(2-methylphenyl)acetamide Traditional Name: 2-[4-(3-mesylphenyl)sulfonyl-3,5-dimethyl-piperazino]-N-(o-tolyl)acetamide Formula: C22H29N3O5S2 MolecularWeight: 479.61276

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(N1S(=O)(=O)C2=CC=CC(=C2)S(=O)(=O)C)C)CC(=O)NC3=CC=CC=C3C

Isomeric SMILES

CC1CN(CC(N1S(=O)(=O)C2=CC=CC(=C2)S(=O)(=O)C)C)CC(=O)NC3=CC=CC=C3C

InChI

InChI=1S/C22H29N3O5S2/c1-16-8-5-6-11-21(16)23-22(26)15-24-13-17(2)25(18(3)14-24)32(29,30)20-10-7-9-19(12-20)31(4,27)28/h5-12,17-18H,13-15H2,1-4H3,(H,23,26)