3-methylsulfanyl-1-[5-phenyl-2-(phenylsulfonylsulfonylamino)phenyl]piperazine

Systemtic Name: 3-methylsulfanyl-1-[5-phenyl-2-(phenylsulfonylsulfonylamino)phenyl]piperazine Openeye Name: 1-[2-(benzenesulfonylsulfonylamino)-5-phenyl-phenyl]-3-methylsulfanyl-piperazine CAS Name: 1-[2-(benzenesulfonylsulfonylamino)-5-phenylphenyl]-3-(methylthio)piperazine IUPAC Name: 1-[2-(benzenesulfonylsulfonylamino)-5-phenylphenyl]-3-methylsulfanylpiperazine Traditional Name: 1-[2-(besylsulfonylamino)-5-phenyl-phenyl]-3-(methylthio)piperazine Formula: C23H25N3O4S3 MolecularWeight: 503.6573

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Descriptors Computed from Structure

Canonical SMILES:

CSC1CN(CCN1)C2=C(C=CC(=C2)C3=CC=CC=C3)NS(=O)(=O)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CSC1CN(CCN1)C2=C(C=CC(=C2)C3=CC=CC=C3)NS(=O)(=O)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C23H25N3O4S3/c1-31-23-17-26(15-14-24-23)22-16-19(18-8-4-2-5-9-18)12-13-21(22)25-33(29,30)32(27,28)20-10-6-3-7-11-20/h2-13,16,23-25H,14-15,17H2,1H3