1-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-(2-methylphenoxy)ethanone

Systemtic Name: 1-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-(2-methylphenoxy)ethanone Openeye Name: 1-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-(2-methylphenoxy)ethanone CAS Name: 1-[4-(3,4-dimethylphenyl)sulfonyl-1-piperazinyl]-2-(2-methylphenoxy)ethanone IUPAC Name: 1-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-(2-methylphenoxy)ethanone Traditional Name: 1-[4-(3,4-dimethylphenyl)sulfonylpiperazino]-2-(2-methylphenoxy)ethanone Formula: C21H26N2O4S MolecularWeight: 402.50714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)COC3=CC=CC=C3C)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)COC3=CC=CC=C3C)C

InChI

InChI=1S/C21H26N2O4S/c1-16-8-9-19(14-18(16)3)28(25,26)23-12-10-22(11-13-23)21(24)15-27-20-7-5-4-6-17(20)2/h4-9,14H,10-13,15H2,1-3H3