1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-(3,4,5-trimethoxyphenyl)ethanone

Systemtic Name: 1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-(3,4,5-trimethoxyphenyl)ethanone Openeye Name: 1-[4-(p-tolylsulfonyl)piperazin-1-yl]-2-(3,4,5-trimethoxyphenyl)ethanone CAS Name: 1-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-2-(3,4,5-trimethoxyphenyl)ethanone IUPAC Name: 1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-(3,4,5-trimethoxyphenyl)ethanone Traditional Name: 1-(4-tosylpiperazino)-2-(3,4,5-trimethoxyphenyl)ethanone Formula: C22H28N2O6S MolecularWeight: 448.53252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CC3=CC(=C(C(=C3)OC)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CC3=CC(=C(C(=C3)OC)OC)OC

InChI

InChI=1S/C22H28N2O6S/c1-16-5-7-18(8-6-16)31(26,27)24-11-9-23(10-12-24)21(25)15-17-13-19(28-2)22(30-4)20(14-17)29-3/h5-8,13-14H,9-12,15H2,1-4H3