[4-(phenylsulfonyl)piperazin-1-yl]-[2-(1,3-thiazol-4-ylmethylsulfanyl)phenyl]methanone

Systemtic Name: [4-(phenylsulfonyl)piperazin-1-yl]-[2-(1,3-thiazol-4-ylmethylsulfanyl)phenyl]methanone Openeye Name: [4-(benzenesulfonyl)piperazin-1-yl]-[2-(thiazol-4-ylmethylsulfanyl)phenyl]methanone CAS Name: [4-(benzenesulfonyl)-1-piperazinyl]-[2-(4-thiazolylmethylthio)phenyl]methanone IUPAC Name: [4-(benzenesulfonyl)piperazin-1-yl]-[2-(1,3-thiazol-4-ylmethylsulfanyl)phenyl]methanone Traditional Name: (4-besylpiperazino)-[2-(thiazol-4-ylmethylthio)phenyl]methanone Formula: C21H21N3O3S3 MolecularWeight: 459.60474

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC=CC=C2SCC3=CSC=N3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC=CC=C2SCC3=CSC=N3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H21N3O3S3/c25-21(19-8-4-5-9-20(19)29-15-17-14-28-16-22-17)23-10-12-24(13-11-23)30(26,27)18-6-2-1-3-7-18/h1-9,14,16H,10-13,15H2