2-[4-[(4-fluorophenyl)-methylsulfonyl-amino]butanoylamino]-N-(3-methoxypropyl)benzamide

Systemtic Name: 2-[4-[(4-fluorophenyl)-methylsulfonyl-amino]butanoylamino]-N-(3-methoxypropyl)benzamide Openeye Name: 2-[4-(4-fluoro-N-methylsulfonyl-anilino)butanoylamino]-N-(3-methoxypropyl)benzamide CAS Name: 2-[[4-(4-fluoro-N-methylsulfonylanilino)-1-oxobutyl]amino]-N-(3-methoxypropyl)benzamide IUPAC Name: 2-[4-(4-fluoro-N-methylsulfonylanilino)butanoylamino]-N-(3-methoxypropyl)benzamide Traditional Name: 2-[4-(4-fluoro-N-mesyl-anilino)butanoylamino]-N-(3-methoxypropyl)benzamide Formula: C22H28FN3O5S MolecularWeight: 465.538223

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Descriptors Computed from Structure

Canonical SMILES:

COCCCNC(=O)C1=CC=CC=C1NC(=O)CCCN(C2=CC=C(C=C2)F)S(=O)(=O)C

Isomeric SMILES

COCCCNC(=O)C1=CC=CC=C1NC(=O)CCCN(C2=CC=C(C=C2)F)S(=O)(=O)C

InChI

InChI=1S/C22H28FN3O5S/c1-31-16-6-14-24-22(28)19-7-3-4-8-20(19)25-21(27)9-5-15-26(32(2,29)30)18-12-10-17(23)11-13-18/h3-4,7-8,10-13H,5-6,9,14-16H2,1-2H3,(H,24,28)(H,25,27)