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

Systemtic Name: 1-[2-(methylsulfanylsulfonylamino)-5-propan-2-ylsulfonyl-phenyl]-3-propan-2-ylsulfonyl-piperazine Openeye Name: 3-isopropylsulfonyl-1-[5-isopropylsulfonyl-2-(methylsulfanylsulfonylamino)phenyl]piperazine CAS Name: 1-[2-[(methylthio)sulfonylamino]-5-propan-2-ylsulfonylphenyl]-3-propan-2-ylsulfonylpiperazine IUPAC Name: 1-[2-(methylsulfanylsulfonylamino)-5-propan-2-ylsulfonylphenyl]-3-propan-2-ylsulfonylpiperazine Traditional Name: 3-isopropylsulfonyl-1-[5-isopropylsulfonyl-2-[(methylthio)sulfonylamino]phenyl]piperazine Formula: C17H29N3O6S4 MolecularWeight: 499.68866

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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)C(C)C)NS(=O)(=O)SC

Isomeric SMILES

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

InChI

InChI=1S/C17H29N3O6S4/c1-12(2)28(21,22)14-6-7-15(19-30(25,26)27-5)16(10-14)20-9-8-18-17(11-20)29(23,24)13(3)4/h6-7,10,12-13,17-19H,8-9,11H2,1-5H3