1-[4-(2-oxidanylidene-2-thiophen-2-yl-ethyl)piperazin-1-yl]-2-(4-propan-2-ylsulfonylphenyl)ethanone

Systemtic Name: 1-[4-(2-oxidanylidene-2-thiophen-2-yl-ethyl)piperazin-1-yl]-2-(4-propan-2-ylsulfonylphenyl)ethanone Openeye Name: 2-(4-isopropylsulfonylphenyl)-1-[4-[2-oxo-2-(2-thienyl)ethyl]piperazin-1-yl]ethanone CAS Name: 1-[4-(2-oxo-2-thiophen-2-ylethyl)-1-piperazinyl]-2-(4-propan-2-ylsulfonylphenyl)ethanone IUPAC Name: 1-[4-(2-oxo-2-thiophen-2-ylethyl)piperazin-1-yl]-2-(4-propan-2-ylsulfonylphenyl)ethanone Traditional Name: 2-(4-isopropylsulfonylphenyl)-1-[4-[2-keto-2-(2-thienyl)ethyl]piperazino]ethanone Formula: C21H26N2O4S2 MolecularWeight: 434.57214

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=CC=C(C=C1)CC(=O)N2CCN(CC2)CC(=O)C3=CC=CS3

Isomeric SMILES

CC(C)S(=O)(=O)C1=CC=C(C=C1)CC(=O)N2CCN(CC2)CC(=O)C3=CC=CS3

InChI

InChI=1S/C21H26N2O4S2/c1-16(2)29(26,27)18-7-5-17(6-8-18)14-21(25)23-11-9-22(10-12-23)15-19(24)20-4-3-13-28-20/h3-8,13,16H,9-12,14-15H2,1-2H3