1-[3-[4-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylcarbonyl)piperazin-1-yl]sulfonylphenyl]ethanone

Systemtic Name: 1-[3-[4-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylcarbonyl)piperazin-1-yl]sulfonylphenyl]ethanone Openeye Name: 1-[3-[4-(4,5,6,7-tetrahydrobenzothiophene-3-carbonyl)piperazin-1-yl]sulfonylphenyl]ethanone CAS Name: 1-[3-[[4-[oxo(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methyl]-1-piperazinyl]sulfonyl]phenyl]ethanone IUPAC Name: 1-[3-[4-(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)piperazin-1-yl]sulfonylphenyl]ethanone Traditional Name: 1-[3-[4-(4,5,6,7-tetrahydrobenzothiophene-3-carbonyl)piperazino]sulfonylphenyl]ethanone Formula: C21H24N2O4S2 MolecularWeight: 432.55626

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CSC4=C3CCCC4

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CSC4=C3CCCC4

InChI

InChI=1S/C21H24N2O4S2/c1-15(24)16-5-4-6-17(13-16)29(26,27)23-11-9-22(10-12-23)21(25)19-14-28-20-8-3-2-7-18(19)20/h4-6,13-14H,2-3,7-12H2,1H3