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

Systemtic Name: 1-[2-(methylsulfanylsulfonylamino)-5-(phenylsulfonyl)phenyl]-3-oxidanyl-piperazine Openeye Name: 1-[5-(benzenesulfonyl)-2-(methylsulfanylsulfonylamino)phenyl]-3-hydroxy-piperazine CAS Name: 1-[5-(benzenesulfonyl)-2-[(methylthio)sulfonylamino]phenyl]-3-hydroxypiperazine IUPAC Name: 1-[5-(benzenesulfonyl)-2-(methylsulfanylsulfonylamino)phenyl]-3-hydroxypiperazine Traditional Name: 1-[5-besyl-2-[(methylthio)sulfonylamino]phenyl]-3-hydroxy-piperazine Formula: C17H21N3O5S3 MolecularWeight: 443.56074

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O5S3/c1-26-28(24,25)19-15-8-7-14(27(22,23)13-5-3-2-4-6-13)11-16(15)20-10-9-18-17(21)12-20/h2-8,11,17-19,21H,9-10,12H2,1H3