3-methyl-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)butan-1-one

Systemtic Name: 3-methyl-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)butan-1-one Openeye Name: 3-methyl-1-[4-(2-thienylsulfonyl)piperazin-1-yl]butan-1-one CAS Name: 3-methyl-1-(4-thiophen-2-ylsulfonyl-1-piperazinyl)-1-butanone IUPAC Name: 3-methyl-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)butan-1-one Traditional Name: 3-methyl-1-[4-(2-thienylsulfonyl)piperazino]butan-1-one Formula: C13H20N2O3S2 MolecularWeight: 316.4395

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CS2

Isomeric SMILES

CC(C)CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CS2

InChI

InChI=1S/C13H20N2O3S2/c1-11(2)10-12(16)14-5-7-15(8-6-14)20(17,18)13-4-3-9-19-13/h3-4,9,11H,5-8,10H2,1-2H3