(E)-but-2-enedioic acid; N-(2-diethylaminoethyl)-3-(4-methylphenyl)sulfonyl-pyrrolidine-1-carboxamide

Systemtic Name: (E)-but-2-enedioic acid; N-(2-diethylaminoethyl)-3-(4-methylphenyl)sulfonyl-pyrrolidine-1-carboxamide Openeye Name: N-(2-diethylaminoethyl)-3-(p-tolylsulfonyl)pyrrolidine-1-carboxamide; fumaric acid CAS Name: (E)-2-butenedioic acid; N-(2-diethylaminoethyl)-3-(4-methylphenyl)sulfonyl-1-pyrrolidinecarboxamide IUPAC Name: (E)-but-2-enedioic acid; N-(2-diethylaminoethyl)-3-(4-methylphenyl)sulfonylpyrrolidine-1-carboxamide Traditional Name: N-(2-diethylaminoethyl)-3-tosyl-pyrrolidine-1-carboxamide; fumaric acid Formula: C22H33N3O7S MolecularWeight: 483.57832

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC(=O)N1CCC(C1)S(=O)(=O)C2=CC=C(C=C2)C.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCN(CC)CCNC(=O)N1CCC(C1)S(=O)(=O)C2=CC=C(C=C2)C.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C18H29N3O3S.C4H4O4/c1-4-20(5-2)13-11-19-18(22)21-12-10-17(14-21)25(23,24)16-8-6-15(3)7-9-16;5-3(6)1-2-4(7)8/h6-9,17H,4-5,10-14H2,1-3H3,(H,19,22);1-2H,(H,5,6)(H,7,8)/b;2-1+