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

Systemtic Name: 1-[2-(methylsulfanylsulfonylamino)-5-(phenylsulfonyl)phenyl]-3-propan-2-ylsulfonyl-piperazine Openeye Name: 1-[5-(benzenesulfonyl)-2-(methylsulfanylsulfonylamino)phenyl]-3-isopropylsulfonyl-piperazine CAS Name: 1-[5-(benzenesulfonyl)-2-[(methylthio)sulfonylamino]phenyl]-3-propan-2-ylsulfonylpiperazine IUPAC Name: 1-[5-(benzenesulfonyl)-2-(methylsulfanylsulfonylamino)phenyl]-3-propan-2-ylsulfonylpiperazine Traditional Name: 1-[5-besyl-2-[(methylthio)sulfonylamino]phenyl]-3-isopropylsulfonyl-piperazine Formula: C20H27N3O6S4 MolecularWeight: 533.70488

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1CN(CCN1)C2=C(C=CC(=C2)S(=O)(=O)C3=CC=CC=C3)NS(=O)(=O)SC

Isomeric SMILES

CC(C)S(=O)(=O)C1CN(CCN1)C2=C(C=CC(=C2)S(=O)(=O)C3=CC=CC=C3)NS(=O)(=O)SC

InChI

InChI=1S/C20H27N3O6S4/c1-15(2)31(24,25)20-14-23(12-11-21-20)19-13-17(9-10-18(19)22-33(28,29)30-3)32(26,27)16-7-5-4-6-8-16/h4-10,13,15,20-22H,11-12,14H2,1-3H3