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

Systemtic Name: 1-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-3-(4-methylphenyl)sulfonyl-propan-1-one Openeye Name: 1-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-3-(p-tolylsulfonyl)propan-1-one CAS Name: 1-[4-[(4-methoxyphenyl)methyl]-1-piperazinyl]-3-(4-methylphenyl)sulfonyl-1-propanone IUPAC Name: 1-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-3-(4-methylphenyl)sulfonylpropan-1-one Traditional Name: 1-(4-p-anisylpiperazino)-3-tosyl-propan-1-one Formula: C22H28N2O4S MolecularWeight: 416.53372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O4S/c1-18-3-9-21(10-4-18)29(26,27)16-11-22(25)24-14-12-23(13-15-24)17-19-5-7-20(28-2)8-6-19/h3-10H,11-17H2,1-2H3