(E)-but-2-enedioic acid; N-(2-diethylaminoethyl)-3-(phenylsulfonyl)-N-propan-2-yl-pyrrolidine-1-carboxamide

Systemtic Name: (E)-but-2-enedioic acid; N-(2-diethylaminoethyl)-3-(phenylsulfonyl)-N-propan-2-yl-pyrrolidine-1-carboxamide Openeye Name: 3-(benzenesulfonyl)-N-(2-diethylaminoethyl)-N-isopropyl-pyrrolidine-1-carboxamide; fumaric acid CAS Name: 3-(benzenesulfonyl)-N-(2-diethylaminoethyl)-N-propan-2-yl-1-pyrrolidinecarboxamide; (E)-2-butenedioic acid IUPAC Name: 3-(benzenesulfonyl)-N-(2-diethylaminoethyl)-N-propan-2-ylpyrrolidine-1-carboxamide; (E)-but-2-enedioic acid Traditional Name: 3-besyl-N-(2-diethylaminoethyl)-N-isopropyl-pyrrolidine-1-carboxamide; fumaric acid Formula: C24H37N3O7S MolecularWeight: 511.63148

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H33N3O3S.C4H4O4/c1-5-21(6-2)14-15-23(17(3)4)20(24)22-13-12-19(16-22)27(25,26)18-10-8-7-9-11-18;5-3(6)1-2-4(7)8/h7-11,17,19H,5-6,12-16H2,1-4H3;1-2H,(H,5,6)(H,7,8)/b;2-1+