N-[2-(3,4-dimethoxyphenyl)ethyl]-2-fluoranyl-5-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-fluoranyl-5-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-fluoro-5-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-fluoro-5-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-fluoro-5-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: 2-fluoro-N-homoveratryl-5-pyrrolidinosulfonyl-benzamide Formula: C21H25FN2O5S MolecularWeight: 436.497003

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCC3)F)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCC3)F)OC

InChI

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