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

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-fluorophenyl)sulfonyl-pyrrolidine-2-carboxamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-fluorophenyl)sulfonyl-pyrrolidine-2-carboxamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-fluorophenyl)sulfonyl-2-pyrrolidinecarboxamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxamide Traditional Name: 1-(2-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=CC=C3F)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)C2CCCN2S(=O)(=O)C3=CC=CC=C3F)OC

InChI

InChI=1S/C21H25FN2O5S/c1-28-18-10-9-15(14-19(18)29-2)11-12-23-21(25)17-7-5-13-24(17)30(26,27)20-8-4-3-6-16(20)22/h3-4,6,8-10,14,17H,5,7,11-13H2,1-2H3,(H,23,25)