4,5-dihydrobenzo[g][1]benzothiol-2-yl-[4-(phenylsulfonyl)piperazin-1-yl]methanone

Systemtic Name: 4,5-dihydrobenzo[g][1]benzothiol-2-yl-[4-(phenylsulfonyl)piperazin-1-yl]methanone Openeye Name: [4-(benzenesulfonyl)piperazin-1-yl]-(4,5-dihydrobenzo[g]benzothiophen-2-yl)methanone CAS Name: [4-(benzenesulfonyl)-1-piperazinyl]-(4,5-dihydrobenzo[g][1]benzothiol-2-yl)methanone IUPAC Name: [4-(benzenesulfonyl)piperazin-1-yl]-(4,5-dihydrobenzo[g][1]benzothiol-2-yl)methanone Traditional Name: (4-besylpiperazino)-(4,5-dihydrobenzo[g]benzothiophen-2-yl)methanone Formula: C23H22N2O3S2 MolecularWeight: 438.56238

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C3=CC=CC=C31)SC(=C2)C(=O)N4CCN(CC4)S(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

C1CC2=C(C3=CC=CC=C31)SC(=C2)C(=O)N4CCN(CC4)S(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C23H22N2O3S2/c26-23(21-16-18-11-10-17-6-4-5-9-20(17)22(18)29-21)24-12-14-25(15-13-24)30(27,28)19-7-2-1-3-8-19/h1-9,16H,10-15H2