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

Systemtic Name: 3-fluoranyl-1-[2-(methylsulfanylsulfonylamino)-5-(phenylsulfonyl)phenyl]piperazine Openeye Name: 1-[5-(benzenesulfonyl)-2-(methylsulfanylsulfonylamino)phenyl]-3-fluoro-piperazine CAS Name: 1-[5-(benzenesulfonyl)-2-[(methylthio)sulfonylamino]phenyl]-3-fluoropiperazine IUPAC Name: 1-[5-(benzenesulfonyl)-2-(methylsulfanylsulfonylamino)phenyl]-3-fluoropiperazine Traditional Name: 1-[5-besyl-2-[(methylthio)sulfonylamino]phenyl]-3-fluoro-piperazine Formula: C17H20FN3O4S3 MolecularWeight: 445.551803

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Descriptors Computed from Structure

Canonical SMILES:

CSS(=O)(=O)NC1=C(C=C(C=C1)S(=O)(=O)C2=CC=CC=C2)N3CCNC(C3)F

Isomeric SMILES

CSS(=O)(=O)NC1=C(C=C(C=C1)S(=O)(=O)C2=CC=CC=C2)N3CCNC(C3)F

InChI

InChI=1S/C17H20FN3O4S3/c1-26-28(24,25)20-15-8-7-14(27(22,23)13-5-3-2-4-6-13)11-16(15)21-10-9-19-17(18)12-21/h2-8,11,17,19-20H,9-10,12H2,1H3