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

Systemtic Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[(3-fluoranyl-4-methoxy-phenyl)methyl]-N-methyl-propanamide Openeye Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[(3-fluoro-4-methoxy-phenyl)methyl]-N-methyl-propanamide CAS Name: 3-[4-(1-azepanylsulfonyl)phenyl]-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylpropanamide IUPAC Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylpropanamide Traditional Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(3-fluoro-4-methoxy-benzyl)-N-methyl-propionamide Formula: C24H31FN2O4S MolecularWeight: 462.577343

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31FN2O4S/c1-26(18-20-9-13-23(31-2)22(25)17-20)24(28)14-10-19-7-11-21(12-8-19)32(29,30)27-15-5-3-4-6-16-27/h7-9,11-13,17H,3-6,10,14-16,18H2,1-2H3