(E)-but-2-enedioic acid; 3-(4-chlorophenyl)sulfinyl-N-(2-dimethylaminoethyl)piperidine-1-carboxamide

Systemtic Name: (E)-but-2-enedioic acid; 3-(4-chlorophenyl)sulfinyl-N-(2-dimethylaminoethyl)piperidine-1-carboxamide Openeye Name: 3-(4-chlorophenyl)sulfinyl-N-(2-dimethylaminoethyl)piperidine-1-carboxamide; fumaric acid CAS Name: (E)-2-butenedioic acid; 3-(4-chlorophenyl)sulfinyl-N-(2-dimethylaminoethyl)-1-piperidinecarboxamide IUPAC Name: (E)-but-2-enedioic acid; 3-(4-chlorophenyl)sulfinyl-N-(2-dimethylaminoethyl)piperidine-1-carboxamide Traditional Name: 3-(4-chlorophenyl)sulfinyl-N-(2-dimethylaminoethyl)piperidine-1-carboxamide; fumaric acid Formula: C20H28ClN3O6S MolecularWeight: 473.97082

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCNC(=O)N1CCCC(C1)S(=O)C2=CC=C(C=C2)Cl.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN(C)CCNC(=O)N1CCCC(C1)S(=O)C2=CC=C(C=C2)Cl.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C16H24ClN3O2S.C4H4O4/c1-19(2)11-9-18-16(21)20-10-3-4-15(12-20)23(22)14-7-5-13(17)6-8-14;5-3(6)1-2-4(7)8/h5-8,15H,3-4,9-12H2,1-2H3,(H,18,21);1-2H,(H,5,6)(H,7,8)/b;2-1+