1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-3-(3,4,5-trimethoxyphenyl)propan-1-one

Systemtic Name: 1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-3-(3,4,5-trimethoxyphenyl)propan-1-one Openeye Name: 1-[4-(p-tolylsulfonyl)piperazin-1-yl]-3-(3,4,5-trimethoxyphenyl)propan-1-one CAS Name: 1-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-3-(3,4,5-trimethoxyphenyl)-1-propanone IUPAC Name: 1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-3-(3,4,5-trimethoxyphenyl)propan-1-one Traditional Name: 1-(4-tosylpiperazino)-3-(3,4,5-trimethoxyphenyl)propan-1-one Formula: C23H30N2O6S MolecularWeight: 462.5591

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCC3=CC(=C(C(=C3)OC)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCC3=CC(=C(C(=C3)OC)OC)OC

InChI

InChI=1S/C23H30N2O6S/c1-17-5-8-19(9-6-17)32(27,28)25-13-11-24(12-14-25)22(26)10-7-18-15-20(29-2)23(31-4)21(16-18)30-3/h5-6,8-9,15-16H,7,10-14H2,1-4H3