[4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]-(3-methylsulfonylphenyl)methanone

Systemtic Name: [4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]-(3-methylsulfonylphenyl)methanone Openeye Name: [4-(benzothiophen-3-ylmethyl)piperazin-1-yl]-(3-methylsulfonylphenyl)methanone CAS Name: [4-(1-benzothiophen-3-ylmethyl)-1-piperazinyl]-(3-methylsulfonylphenyl)methanone IUPAC Name: [4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]-(3-methylsulfonylphenyl)methanone Traditional Name: [4-(benzothiophen-3-ylmethyl)piperazino]-(3-mesylphenyl)methanone Formula: C21H22N2O3S2 MolecularWeight: 414.54098

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC(=C1)C(=O)N2CCN(CC2)CC3=CSC4=CC=CC=C43

Isomeric SMILES

CS(=O)(=O)C1=CC=CC(=C1)C(=O)N2CCN(CC2)CC3=CSC4=CC=CC=C43

InChI

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