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

Systemtic Name: 1-[5-methyl-2-(phenylsulfonylsulfonylamino)phenyl]-3-methylsulfanyl-piperazine Openeye Name: 1-[2-(benzenesulfonylsulfonylamino)-5-methyl-phenyl]-3-methylsulfanyl-piperazine CAS Name: 1-[2-(benzenesulfonylsulfonylamino)-5-methylphenyl]-3-(methylthio)piperazine IUPAC Name: 1-[2-(benzenesulfonylsulfonylamino)-5-methylphenyl]-3-methylsulfanylpiperazine Traditional Name: 1-[2-(besylsulfonylamino)-5-methyl-phenyl]-3-(methylthio)piperazine Formula: C18H23N3O4S3 MolecularWeight: 441.58792

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NS(=O)(=O)S(=O)(=O)C2=CC=CC=C2)N3CCNC(C3)SC

Isomeric SMILES

CC1=CC(=C(C=C1)NS(=O)(=O)S(=O)(=O)C2=CC=CC=C2)N3CCNC(C3)SC

InChI

InChI=1S/C18H23N3O4S3/c1-14-8-9-16(17(12-14)21-11-10-19-18(13-21)26-2)20-28(24,25)27(22,23)15-6-4-3-5-7-15/h3-9,12,18-20H,10-11,13H2,1-2H3