N-[(3,4-dimethoxyphenyl)methyl]-2-[(4-fluorophenyl)-methylsulfonyl-amino]-N-methyl-butanamide

Systemtic Name: N-[(3,4-dimethoxyphenyl)methyl]-2-[(4-fluorophenyl)-methylsulfonyl-amino]-N-methyl-butanamide Openeye Name: N-[(3,4-dimethoxyphenyl)methyl]-2-(4-fluoro-N-methylsulfonyl-anilino)-N-methyl-butanamide CAS Name: N-[(3,4-dimethoxyphenyl)methyl]-2-(4-fluoro-N-methylsulfonylanilino)-N-methylbutanamide IUPAC Name: N-[(3,4-dimethoxyphenyl)methyl]-2-(4-fluoro-N-methylsulfonylanilino)-N-methylbutanamide Traditional Name: 2-(4-fluoro-N-mesyl-anilino)-N-methyl-N-veratryl-butyramide Formula: C21H27FN2O5S MolecularWeight: 438.512883

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N(C)CC1=CC(=C(C=C1)OC)OC)N(C2=CC=C(C=C2)F)S(=O)(=O)C

Isomeric SMILES

CCC(C(=O)N(C)CC1=CC(=C(C=C1)OC)OC)N(C2=CC=C(C=C2)F)S(=O)(=O)C

InChI

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