2-(1,3-benzothiazol-2-ylmethylsulfanyl)-1-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-1-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-1-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]ethanone CAS Name: 2-(1,3-benzothiazol-2-ylmethylthio)-1-[4-(2-chlorophenyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-1-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]ethanone Traditional Name: 2-(1,3-benzothiazol-2-ylmethylthio)-1-[4-(2-chlorophenyl)sulfonylpiperazino]ethanone Formula: C20H20ClN3O3S3 MolecularWeight: 482.0391

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CSCC2=NC3=CC=CC=C3S2)S(=O)(=O)C4=CC=CC=C4Cl

Isomeric SMILES

C1CN(CCN1C(=O)CSCC2=NC3=CC=CC=C3S2)S(=O)(=O)C4=CC=CC=C4Cl

InChI

InChI=1S/C20H20ClN3O3S3/c21-15-5-1-4-8-18(15)30(26,27)24-11-9-23(10-12-24)20(25)14-28-13-19-22-16-6-2-3-7-17(16)29-19/h1-8H,9-14H2