1-[5-ethyl-2-(methylsulfanylsulfonylamino)phenyl]-3-(phenylsulfonyl)piperazine

Systemtic Name: 1-[5-ethyl-2-(methylsulfanylsulfonylamino)phenyl]-3-(phenylsulfonyl)piperazine Openeye Name: 3-(benzenesulfonyl)-1-[5-ethyl-2-(methylsulfanylsulfonylamino)phenyl]piperazine CAS Name: 3-(benzenesulfonyl)-1-[5-ethyl-2-[(methylthio)sulfonylamino]phenyl]piperazine IUPAC Name: 3-(benzenesulfonyl)-1-[5-ethyl-2-(methylsulfanylsulfonylamino)phenyl]piperazine Traditional Name: 3-besyl-1-[5-ethyl-2-[(methylthio)sulfonylamino]phenyl]piperazine Formula: C19H25N3O4S3 MolecularWeight: 455.6145

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)NS(=O)(=O)SC)N2CCNC(C2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCC1=CC(=C(C=C1)NS(=O)(=O)SC)N2CCNC(C2)S(=O)(=O)C3=CC=CC=C3

InChI

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