N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-3-(2-fluorophenyl)propanamide

Systemtic Name: N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-3-(2-fluorophenyl)propanamide Openeye Name: N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-3-(2-fluorophenyl)propanamide CAS Name: N-[4-ethoxy-3-(1-pyrrolidinylsulfonyl)phenyl]-3-(2-fluorophenyl)propanamide IUPAC Name: N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-3-(2-fluorophenyl)propanamide Traditional Name: N-(4-ethoxy-3-pyrrolidinosulfonyl-phenyl)-3-(2-fluorophenyl)propionamide Formula: C21H25FN2O4S MolecularWeight: 420.497603

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)CCC2=CC=CC=C2F)S(=O)(=O)N3CCCC3

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)CCC2=CC=CC=C2F)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C21H25FN2O4S/c1-2-28-19-11-10-17(15-20(19)29(26,27)24-13-5-6-14-24)23-21(25)12-9-16-7-3-4-8-18(16)22/h3-4,7-8,10-11,15H,2,5-6,9,12-14H2,1H3,(H,23,25)