3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-N-methyl-propanamide

Systemtic Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-N-methyl-propanamide Openeye Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[(2-chloro-6-fluoro-phenyl)methyl]-N-methyl-propanamide CAS Name: 3-[4-(1-azepanylsulfonyl)phenyl]-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpropanamide IUPAC Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpropanamide Traditional Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(2-chloro-6-fluoro-benzyl)-N-methyl-propionamide Formula: C23H28ClFN2O3S MolecularWeight: 466.996423

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=C(C=CC=C1Cl)F)C(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CN(CC1=C(C=CC=C1Cl)F)C(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C23H28ClFN2O3S/c1-26(17-20-21(24)7-6-8-22(20)25)23(28)14-11-18-9-12-19(13-10-18)31(29,30)27-15-4-2-3-5-16-27/h6-10,12-13H,2-5,11,14-17H2,1H3