2-(2-methylphenyl)sulfanyl-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone

Systemtic Name: 2-(2-methylphenyl)sulfanyl-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone Openeye Name: 2-(o-tolylsulfanyl)-1-[4-(2-thienylsulfonyl)piperazin-1-yl]ethanone CAS Name: 2-[(2-methylphenyl)thio]-1-(4-thiophen-2-ylsulfonyl-1-piperazinyl)ethanone IUPAC Name: 2-(2-methylphenyl)sulfanyl-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone Traditional Name: 2-(o-tolylthio)-1-[4-(2-thienylsulfonyl)piperazino]ethanone Formula: C17H20N2O3S3 MolecularWeight: 396.5473

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1SCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

CC1=CC=CC=C1SCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C17H20N2O3S3/c1-14-5-2-3-6-15(14)24-13-16(20)18-8-10-19(11-9-18)25(21,22)17-7-4-12-23-17/h2-7,12H,8-11,13H2,1H3