[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl] (2S)-1-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxylate

Systemtic Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl] (2S)-1-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxylate Openeye Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl] (2S)-1-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxylate CAS Name: (2S)-1-(2-fluorophenyl)sulfonyl-2-pyrrolidinecarboxylic acid [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] (2S)-1-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxylate Traditional Name: (2S)-1-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid [2-keto-2-(piperonylamino)ethyl] ester Formula: C21H21FN2O7S MolecularWeight: 464.464043

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)S(=O)(=O)C2=CC=CC=C2F)C(=O)OCC(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1C[C@H](N(C1)S(=O)(=O)C2=CC=CC=C2F)C(=O)OCC(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H21FN2O7S/c22-15-4-1-2-6-19(15)32(27,28)24-9-3-5-16(24)21(26)29-12-20(25)23-11-14-7-8-17-18(10-14)31-13-30-17/h1-2,4,6-8,10,16H,3,5,9,11-13H2,(H,23,25)/t16-/m0/s1