4-[4-(4,5-dihydrobenzo[g][1]benzothiol-2-ylcarbonyl)piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 4-[4-(4,5-dihydrobenzo[g][1]benzothiol-2-ylcarbonyl)piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 4-[4-(4,5-dihydrobenzo[g]benzothiophene-2-carbonyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 4-[[4-[4,5-dihydrobenzo[g][1]benzothiol-2-yl(oxo)methyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 4-[4-(4,5-dihydrobenzo[g][1]benzothiole-2-carbonyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 4-[4-(4,5-dihydrobenzo[g]benzothiophene-2-carbonyl)piperazino]sulfonylbenzonitrile Formula: C24H21N3O3S2 MolecularWeight: 463.57184

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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)C#N

Isomeric SMILES

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

InChI

InChI=1S/C24H21N3O3S2/c25-16-17-5-9-20(10-6-17)32(29,30)27-13-11-26(12-14-27)24(28)22-15-19-8-7-18-3-1-2-4-21(18)23(19)31-22/h1-6,9-10,15H,7-8,11-14H2