(2S)-N-(1,3-benzodioxol-5-ylmethyl)-1-(4-fluorophenyl)sulfonyl-4-oxidanyl-pyrrolidine-2-carboxamide

Systemtic Name: (2S)-N-(1,3-benzodioxol-5-ylmethyl)-1-(4-fluorophenyl)sulfonyl-4-oxidanyl-pyrrolidine-2-carboxamide Openeye Name: (2S)-N-(1,3-benzodioxol-5-ylmethyl)-1-(4-fluorophenyl)sulfonyl-4-hydroxy-pyrrolidine-2-carboxamide CAS Name: (2S)-N-(1,3-benzodioxol-5-ylmethyl)-1-(4-fluorophenyl)sulfonyl-4-hydroxy-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N-(1,3-benzodioxol-5-ylmethyl)-1-(4-fluorophenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxamide Traditional Name: (2S)-1-(4-fluorophenyl)sulfonyl-4-hydroxy-N-piperonyl-pyrrolidine-2-carboxamide Formula: C19H19FN2O6S MolecularWeight: 422.427363

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1C(=O)NCC2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC=C(C=C4)F)O

Isomeric SMILES

C1[C@H](N(CC1O)S(=O)(=O)C2=CC=C(C=C2)F)C(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H19FN2O6S/c20-13-2-4-15(5-3-13)29(25,26)22-10-14(23)8-16(22)19(24)21-9-12-1-6-17-18(7-12)28-11-27-17/h1-7,14,16,23H,8-11H2,(H,21,24)/t14?,16-/m0/s1