3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(4-fluoranyl-2-methyl-phenyl)propanamide

Systemtic Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(4-fluoranyl-2-methyl-phenyl)propanamide Openeye Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(4-fluoro-2-methyl-phenyl)propanamide CAS Name: 3-[4-(1-azepanylsulfonyl)phenyl]-N-(4-fluoro-2-methylphenyl)propanamide IUPAC Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(4-fluoro-2-methylphenyl)propanamide Traditional Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(4-fluoro-2-methyl-phenyl)propionamide Formula: C22H27FN2O3S MolecularWeight: 418.524783

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)F)NC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=CC(=C1)F)NC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C22H27FN2O3S/c1-17-16-19(23)9-12-21(17)24-22(26)13-8-18-6-10-20(11-7-18)29(27,28)25-14-4-2-3-5-15-25/h6-7,9-12,16H,2-5,8,13-15H2,1H3,(H,24,26)