N-[(3,4-dimethoxyphenyl)methyl]-4-[(4-fluorophenyl)-methylsulfonyl-amino]butanamide

Systemtic Name: N-[(3,4-dimethoxyphenyl)methyl]-4-[(4-fluorophenyl)-methylsulfonyl-amino]butanamide Openeye Name: N-[(3,4-dimethoxyphenyl)methyl]-4-(4-fluoro-N-methylsulfonyl-anilino)butanamide CAS Name: N-[(3,4-dimethoxyphenyl)methyl]-4-(4-fluoro-N-methylsulfonylanilino)butanamide IUPAC Name: N-[(3,4-dimethoxyphenyl)methyl]-4-(4-fluoro-N-methylsulfonylanilino)butanamide Traditional Name: 4-(4-fluoro-N-mesyl-anilino)-N-veratryl-butyramide Formula: C20H25FN2O5S MolecularWeight: 424.486303

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)CCCN(C2=CC=C(C=C2)F)S(=O)(=O)C)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)CCCN(C2=CC=C(C=C2)F)S(=O)(=O)C)OC

InChI

InChI=1S/C20H25FN2O5S/c1-27-18-11-6-15(13-19(18)28-2)14-22-20(24)5-4-12-23(29(3,25)26)17-9-7-16(21)8-10-17/h6-11,13H,4-5,12,14H2,1-3H3,(H,22,24)