1-[3-[4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]sulfonylphenyl]ethanone

Systemtic Name: 1-[3-[4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]sulfonylphenyl]ethanone Openeye Name: 1-[3-[4-(benzothiophen-3-ylmethyl)piperazin-1-yl]sulfonylphenyl]ethanone CAS Name: 1-[3-[[4-(1-benzothiophen-3-ylmethyl)-1-piperazinyl]sulfonyl]phenyl]ethanone IUPAC Name: 1-[3-[4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]sulfonylphenyl]ethanone Traditional Name: 1-[3-[4-(benzothiophen-3-ylmethyl)piperazino]sulfonylphenyl]ethanone Formula: C21H22N2O3S2 MolecularWeight: 414.54098

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCN(CC2)CC3=CSC4=CC=CC=C43

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCN(CC2)CC3=CSC4=CC=CC=C43

InChI

InChI=1S/C21H22N2O3S2/c1-16(24)17-5-4-6-19(13-17)28(25,26)23-11-9-22(10-12-23)14-18-15-27-21-8-3-2-7-20(18)21/h2-8,13,15H,9-12,14H2,1H3