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

Systemtic Name: 1-[5-ethyl-2-(phenylsulfonylsulfonylamino)phenyl]-3-methylsulfanyl-piperazine Openeye Name: 1-[2-(benzenesulfonylsulfonylamino)-5-ethyl-phenyl]-3-methylsulfanyl-piperazine CAS Name: 1-[2-(benzenesulfonylsulfonylamino)-5-ethylphenyl]-3-(methylthio)piperazine IUPAC Name: 1-[2-(benzenesulfonylsulfonylamino)-5-ethylphenyl]-3-methylsulfanylpiperazine Traditional Name: 1-[2-(besylsulfonylamino)-5-ethyl-phenyl]-3-(methylthio)piperazine Formula: C19H25N3O4S3 MolecularWeight: 455.6145

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)NS(=O)(=O)S(=O)(=O)C2=CC=CC=C2)N3CCNC(C3)SC

Isomeric SMILES

CCC1=CC(=C(C=C1)NS(=O)(=O)S(=O)(=O)C2=CC=CC=C2)N3CCNC(C3)SC

InChI

InChI=1S/C19H25N3O4S3/c1-3-15-9-10-17(18(13-15)22-12-11-20-19(14-22)27-2)21-29(25,26)28(23,24)16-7-5-4-6-8-16/h4-10,13,19-21H,3,11-12,14H2,1-2H3