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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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