1-[4-(4-ethanoylphenyl)piperazin-1-yl]-3-(4-methylphenyl)sulfonyl-propan-1-one

Systemtic Name: 1-[4-(4-ethanoylphenyl)piperazin-1-yl]-3-(4-methylphenyl)sulfonyl-propan-1-one Openeye Name: 1-[4-(4-acetylphenyl)piperazin-1-yl]-3-(p-tolylsulfonyl)propan-1-one CAS Name: 1-[4-(4-acetylphenyl)-1-piperazinyl]-3-(4-methylphenyl)sulfonyl-1-propanone IUPAC Name: 1-[4-(4-acetylphenyl)piperazin-1-yl]-3-(4-methylphenyl)sulfonylpropan-1-one Traditional Name: 1-[4-(4-acetylphenyl)piperazino]-3-tosyl-propan-1-one Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O4S/c1-17-3-9-21(10-4-17)29(27,28)16-11-22(26)24-14-12-23(13-15-24)20-7-5-19(6-8-20)18(2)25/h3-10H,11-16H2,1-2H3