N-[2-(4-fluorophenyl)-4-methylsulfonyl-butyl]-3,4,5-trimethoxy-N-methyl-benzamide

Systemtic Name: N-[2-(4-fluorophenyl)-4-methylsulfonyl-butyl]-3,4,5-trimethoxy-N-methyl-benzamide Openeye Name: N-[2-(4-fluorophenyl)-4-methylsulfonyl-butyl]-3,4,5-trimethoxy-N-methyl-benzamide CAS Name: N-[2-(4-fluorophenyl)-4-methylsulfonylbutyl]-3,4,5-trimethoxy-N-methylbenzamide IUPAC Name: N-[2-(4-fluorophenyl)-4-methylsulfonylbutyl]-3,4,5-trimethoxy-N-methylbenzamide Traditional Name: N-[2-(4-fluorophenyl)-4-mesyl-butyl]-3,4,5-trimethoxy-N-methyl-benzamide Formula: C22H28FNO6S MolecularWeight: 453.524223

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(CCS(=O)(=O)C)C1=CC=C(C=C1)F)C(=O)C2=CC(=C(C(=C2)OC)OC)OC

Isomeric SMILES

CN(CC(CCS(=O)(=O)C)C1=CC=C(C=C1)F)C(=O)C2=CC(=C(C(=C2)OC)OC)OC

InChI

InChI=1S/C22H28FNO6S/c1-24(22(25)17-12-19(28-2)21(30-4)20(13-17)29-3)14-16(10-11-31(5,26)27)15-6-8-18(23)9-7-15/h6-9,12-13,16H,10-11,14H2,1-5H3