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

Systemtic Name: N-[3,5-dimethyl-4-(4-methylsulfonylphenyl)sulfonyl-piperazin-1-yl]-N-(2-methylphenyl)ethanamide Openeye Name: N-[3,5-dimethyl-4-(4-methylsulfonylphenyl)sulfonyl-piperazin-1-yl]-N-(o-tolyl)acetamide CAS Name: N-[3,5-dimethyl-4-(4-methylsulfonylphenyl)sulfonyl-1-piperazinyl]-N-(2-methylphenyl)acetamide IUPAC Name: N-[3,5-dimethyl-4-(4-methylsulfonylphenyl)sulfonylpiperazin-1-yl]-N-(2-methylphenyl)acetamide Traditional Name: N-[4-(4-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=C(C=C2)S(=O)(=O)C)C)N(C3=CC=CC=C3C)C(=O)C

Isomeric SMILES

CC1CN(CC(N1S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)C)C)N(C3=CC=CC=C3C)C(=O)C

InChI

InChI=1S/C22H29N3O5S2/c1-16-8-6-7-9-22(16)24(19(4)26)23-14-17(2)25(18(3)15-23)32(29,30)21-12-10-20(11-13-21)31(5,27)28/h6-13,17-18H,14-15H2,1-5H3