3-(azepan-1-ylsulfonyl)-N-[2-[(3-fluorophenyl)amino]-2-oxidanylidene-ethyl]-N-methyl-benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-N-[2-[(3-fluorophenyl)amino]-2-oxidanylidene-ethyl]-N-methyl-benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-N-[2-(3-fluoroanilino)-2-oxo-ethyl]-N-methyl-benzamide CAS Name: 3-(1-azepanylsulfonyl)-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylbenzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylbenzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-N-[2-(3-fluoroanilino)-2-keto-ethyl]-N-methyl-benzamide Formula: C22H26FN3O4S MolecularWeight: 447.522943

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC1=CC(=CC=C1)F)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CN(CC(=O)NC1=CC(=CC=C1)F)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C22H26FN3O4S/c1-25(16-21(27)24-19-10-7-9-18(23)15-19)22(28)17-8-6-11-20(14-17)31(29,30)26-12-4-2-3-5-13-26/h6-11,14-15H,2-5,12-13,16H2,1H3,(H,24,27)