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

Systemtic Name: 1-[4-(3-methoxyphenyl)piperazin-1-yl]-3-(4-methylphenyl)sulfonyl-propan-1-one Openeye Name: 1-[4-(3-methoxyphenyl)piperazin-1-yl]-3-(p-tolylsulfonyl)propan-1-one CAS Name: 1-[4-(3-methoxyphenyl)-1-piperazinyl]-3-(4-methylphenyl)sulfonyl-1-propanone IUPAC Name: 1-[4-(3-methoxyphenyl)piperazin-1-yl]-3-(4-methylphenyl)sulfonylpropan-1-one Traditional Name: 1-[4-(3-methoxyphenyl)piperazino]-3-tosyl-propan-1-one Formula: C21H26N2O4S MolecularWeight: 402.50714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O4S/c1-17-6-8-20(9-7-17)28(25,26)15-10-21(24)23-13-11-22(12-14-23)18-4-3-5-19(16-18)27-2/h3-9,16H,10-15H2,1-2H3