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

Systemtic Name: (E)-but-2-enedioic acid; 1-[1-(4-chlorophenyl)cyclobutyl]-N,N-dimethyl-2-methylsulfonyl-ethanamine Openeye Name: 1-[1-(4-chlorophenyl)cyclobutyl]-N,N-dimethyl-2-methylsulfonyl-ethanamine; fumaric acid CAS Name: (E)-2-butenedioic acid; 1-[1-(4-chlorophenyl)cyclobutyl]-N,N-dimethyl-2-methylsulfonylethanamine IUPAC Name: (E)-but-2-enedioic acid; 1-[1-(4-chlorophenyl)cyclobutyl]-N,N-dimethyl-2-methylsulfonylethanamine Traditional Name: [1-[1-(4-chlorophenyl)cyclobutyl]-2-mesyl-ethyl]-dimethyl-amine; fumaric acid Formula: C19H26ClNO6S MolecularWeight: 431.93084

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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.C(=CC(=O)O)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C15H22ClNO2S.C4H4O4/c1-17(2)14(11-20(3,18)19)15(9-4-10-15)12-5-7-13(16)8-6-12;5-3(6)1-2-4(7)8/h5-8,14H,4,9-11H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+