(E)-but-2-enedioic acid; 1-[1-(3,4-dichlorophenyl)cyclobutyl]-N,N-dimethyl-2-methylsulfonyl-ethanamine

Systemtic Name: (E)-but-2-enedioic acid; 1-[1-(3,4-dichlorophenyl)cyclobutyl]-N,N-dimethyl-2-methylsulfonyl-ethanamine Openeye Name: 1-[1-(3,4-dichlorophenyl)cyclobutyl]-N,N-dimethyl-2-methylsulfonyl-ethanamine; fumaric acid CAS Name: (E)-2-butenedioic acid; 1-[1-(3,4-dichlorophenyl)cyclobutyl]-N,N-dimethyl-2-methylsulfonylethanamine IUPAC Name: (E)-but-2-enedioic acid; 1-[1-(3,4-dichlorophenyl)cyclobutyl]-N,N-dimethyl-2-methylsulfonylethanamine Traditional Name: [1-[1-(3,4-dichlorophenyl)cyclobutyl]-2-mesyl-ethyl]-dimethyl-amine; fumaric acid Formula: C19H25Cl2NO6S MolecularWeight: 466.3759

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(CS(=O)(=O)C)C1(CCC1)C2=CC(=C(C=C2)Cl)Cl.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN(C)C(CS(=O)(=O)C)C1(CCC1)C2=CC(=C(C=C2)Cl)Cl.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C15H21Cl2NO2S.C4H4O4/c1-18(2)14(10-21(3,19)20)15(7-4-8-15)11-5-6-12(16)13(17)9-11;5-3(6)1-2-4(7)8/h5-6,9,14H,4,7-8,10H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+