N-[1-(3,4-dimethoxyphenyl)ethyl]-4-[(4-fluorophenyl)-methylsulfonyl-amino]butanamide

Systemtic Name: N-[1-(3,4-dimethoxyphenyl)ethyl]-4-[(4-fluorophenyl)-methylsulfonyl-amino]butanamide Openeye Name: N-[1-(3,4-dimethoxyphenyl)ethyl]-4-(4-fluoro-N-methylsulfonyl-anilino)butanamide CAS Name: N-[1-(3,4-dimethoxyphenyl)ethyl]-4-(4-fluoro-N-methylsulfonylanilino)butanamide IUPAC Name: N-[1-(3,4-dimethoxyphenyl)ethyl]-4-(4-fluoro-N-methylsulfonylanilino)butanamide Traditional Name: N-[1-(3,4-dimethoxyphenyl)ethyl]-4-(4-fluoro-N-mesyl-anilino)butyramide Formula: C21H27FN2O5S MolecularWeight: 438.512883

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27FN2O5S/c1-15(16-7-12-19(28-2)20(14-16)29-3)23-21(25)6-5-13-24(30(4,26)27)18-10-8-17(22)9-11-18/h7-12,14-15H,5-6,13H2,1-4H3,(H,23,25)