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

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

CCC(C(=O)NC1=CC=CC=C1C(=O)NCCCOC)N(C2=CC=C(C=C2)F)S(=O)(=O)C

Isomeric SMILES

CCC(C(=O)NC1=CC=CC=C1C(=O)NCCCOC)N(C2=CC=C(C=C2)F)S(=O)(=O)C

InChI

InChI=1S/C22H28FN3O5S/c1-4-20(26(32(3,29)30)17-12-10-16(23)11-13-17)22(28)25-19-9-6-5-8-18(19)21(27)24-14-7-15-31-2/h5-6,8-13,20H,4,7,14-15H2,1-3H3,(H,24,27)(H,25,28)