N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-fluorophenyl)sulfonyl-pyrrolidine-2-carboxamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-fluorophenyl)sulfonyl-pyrrolidine-2-carboxamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-fluorophenyl)sulfonyl-pyrrolidine-2-carboxamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-fluorophenyl)sulfonyl-2-pyrrolidinecarboxamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide Traditional Name: 1-(4-fluorophenyl)sulfonyl-N-homoveratryl-pyrrolidine-2-carboxamide Formula: C21H25FN2O5S MolecularWeight: 436.497003

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)C2CCCN2S(=O)(=O)C3=CC=C(C=C3)F)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)C2CCCN2S(=O)(=O)C3=CC=C(C=C3)F)OC

InChI

InChI=1S/C21H25FN2O5S/c1-28-19-10-5-15(14-20(19)29-2)11-12-23-21(25)18-4-3-13-24(18)30(26,27)17-8-6-16(22)7-9-17/h5-10,14,18H,3-4,11-13H2,1-2H3,(H,23,25)