(E)-but-2-enedioic acid; 2-(4-fluorophenyl)-N-(phenylmethyl)pyrrolidine-1-sulfonamide

Systemtic Name: (E)-but-2-enedioic acid; 2-(4-fluorophenyl)-N-(phenylmethyl)pyrrolidine-1-sulfonamide Openeye Name: N-benzyl-2-(4-fluorophenyl)pyrrolidine-1-sulfonamide; fumaric acid CAS Name: (E)-2-butenedioic acid; 2-(4-fluorophenyl)-N-(phenylmethyl)-1-pyrrolidinesulfonamide IUPAC Name: N-benzyl-2-(4-fluorophenyl)pyrrolidine-1-sulfonamide; (E)-but-2-enedioic acid Traditional Name: N-benzyl-2-(4-fluorophenyl)pyrrolidine-1-sulfonamide; fumaric acid Formula: C21H23FN2O6S MolecularWeight: 450.480523

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)S(=O)(=O)NCC2=CC=CC=C2)C3=CC=C(C=C3)F.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1CC(N(C1)S(=O)(=O)NCC2=CC=CC=C2)C3=CC=C(C=C3)F.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C17H19FN2O2S.C4H4O4/c18-16-10-8-15(9-11-16)17-7-4-12-20(17)23(21,22)19-13-14-5-2-1-3-6-14;5-3(6)1-2-4(7)8/h1-3,5-6,8-11,17,19H,4,7,12-13H2;1-2H,(H,5,6)(H,7,8)/b;2-1+