N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-fluoranylphenoxy)-2-methyl-propanamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-fluoranylphenoxy)-2-methyl-propanamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-fluorophenoxy)-2-methyl-propanamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-2-(4-fluorophenoxy)-2-methylpropanamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-fluorophenoxy)-2-methylpropanamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-fluorophenoxy)-2-methyl-propionamide Formula: C22H27FN2O4S MolecularWeight: 434.524183

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCCCC2)OC3=CC=C(C=C3)F

Isomeric SMILES

CC(C)(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCCCC2)OC3=CC=C(C=C3)F

InChI

InChI=1S/C22H27FN2O4S/c1-22(2,29-19-11-7-17(23)8-12-19)21(26)24-18-9-13-20(14-10-18)30(27,28)25-15-5-3-4-6-16-25/h7-14H,3-6,15-16H2,1-2H3,(H,24,26)