(E)-but-2-enedioic acid; 1-(phenylmethyl)-3-(phenylsulfonyl)pyrrolidine

Systemtic Name: (E)-but-2-enedioic acid; 1-(phenylmethyl)-3-(phenylsulfonyl)pyrrolidine Openeye Name: 3-(benzenesulfonyl)-1-benzyl-pyrrolidine; fumaric acid CAS Name: 3-(benzenesulfonyl)-1-(phenylmethyl)pyrrolidine; (E)-2-butenedioic acid IUPAC Name: 3-(benzenesulfonyl)-1-benzylpyrrolidine; (E)-but-2-enedioic acid Traditional Name: 1-benzyl-3-besyl-pyrrolidine; fumaric acid Formula: C21H23NO6S MolecularWeight: 417.47542

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1S(=O)(=O)C2=CC=CC=C2)CC3=CC=CC=C3.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1CN(CC1S(=O)(=O)C2=CC=CC=C2)CC3=CC=CC=C3.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C17H19NO2S.C4H4O4/c19-21(20,16-9-5-2-6-10-16)17-11-12-18(14-17)13-15-7-3-1-4-8-15;5-3(6)1-2-4(7)8/h1-10,17H,11-14H2;1-2H,(H,5,6)(H,7,8)/b;2-1+