2-(4H-3,1-benzothiazin-2-ylsulfanyl)-1-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 2-(4H-3,1-benzothiazin-2-ylsulfanyl)-1-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 2-(4H-3,1-benzothiazin-2-ylsulfanyl)-1-(4-benzylsulfonylpiperazin-1-yl)ethanone CAS Name: 2-(4H-3,1-benzothiazin-2-ylthio)-1-[4-(phenylmethyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 2-(4H-3,1-benzothiazin-2-ylsulfanyl)-1-(4-benzylsulfonylpiperazin-1-yl)ethanone Traditional Name: 2-(4H-3,1-benzothiazin-2-ylthio)-1-(4-benzylsulfonylpiperazino)ethanone Formula: C21H23N3O3S3 MolecularWeight: 461.62062

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CSC2=NC3=CC=CC=C3CS2)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C(=O)CSC2=NC3=CC=CC=C3CS2)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C21H23N3O3S3/c25-20(15-29-21-22-19-9-5-4-8-18(19)14-28-21)23-10-12-24(13-11-23)30(26,27)16-17-6-2-1-3-7-17/h1-9H,10-16H2