4,5-dihydrobenzo[g][1]benzothiol-2-yl-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: 4,5-dihydrobenzo[g][1]benzothiol-2-yl-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: 4,5-dihydrobenzo[g]benzothiophen-2-yl-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methanone CAS Name: 4,5-dihydrobenzo[g][1]benzothiol-2-yl-[4-(4-fluorophenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: 4,5-dihydrobenzo[g][1]benzothiol-2-yl-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: 4,5-dihydrobenzo[g]benzothiophen-2-yl-[4-(4-fluorophenyl)sulfonylpiperazino]methanone Formula: C23H21FN2O3S2 MolecularWeight: 456.552843

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21FN2O3S2/c24-18-7-9-19(10-8-18)31(28,29)26-13-11-25(12-14-26)23(27)21-15-17-6-5-16-3-1-2-4-20(16)22(17)30-21/h1-4,7-10,15H,5-6,11-14H2