1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-3-thiophen-3-yl-propan-1-one

Systemtic Name: 1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-3-thiophen-3-yl-propan-1-one Openeye Name: 1-[4-(p-tolylsulfonyl)piperazin-1-yl]-3-(3-thienyl)propan-1-one CAS Name: 1-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-3-(3-thiophenyl)-1-propanone IUPAC Name: 1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-3-thiophen-3-ylpropan-1-one Traditional Name: 3-(3-thienyl)-1-(4-tosylpiperazino)propan-1-one Formula: C18H22N2O3S2 MolecularWeight: 378.50888

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=CSC=C3

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O3S2/c1-15-2-5-17(6-3-15)25(22,23)20-11-9-19(10-12-20)18(21)7-4-16-8-13-24-14-16/h2-3,5-6,8,13-14H,4,7,9-12H2,1H3