1-[4-(5-chloranylthiophen-2-yl)sulfonylpiperazin-1-yl]-2-[(3-methylphenyl)methylsulfanyl]ethanone

Systemtic Name: 1-[4-(5-chloranylthiophen-2-yl)sulfonylpiperazin-1-yl]-2-[(3-methylphenyl)methylsulfanyl]ethanone Openeye Name: 1-[4-[(5-chloro-2-thienyl)sulfonyl]piperazin-1-yl]-2-(m-tolylmethylsulfanyl)ethanone CAS Name: 1-[4-[(5-chloro-2-thiophenyl)sulfonyl]-1-piperazinyl]-2-[(3-methylphenyl)methylthio]ethanone IUPAC Name: 1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-2-[(3-methylphenyl)methylsulfanyl]ethanone Traditional Name: 1-[4-[(5-chloro-2-thienyl)sulfonyl]piperazino]-2-[(3-methylbenzyl)thio]ethanone Formula: C18H21ClN2O3S3 MolecularWeight: 445.01894

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Cl

Isomeric SMILES

CC1=CC(=CC=C1)CSCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Cl

InChI

InChI=1S/C18H21ClN2O3S3/c1-14-3-2-4-15(11-14)12-25-13-17(22)20-7-9-21(10-8-20)27(23,24)18-6-5-16(19)26-18/h2-6,11H,7-10,12-13H2,1H3