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

Systemtic Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[(4-dimethylaminophenyl)methyl]propanamide Openeye Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[(4-dimethylaminophenyl)methyl]propanamide CAS Name: 3-[4-(1-azepanylsulfonyl)phenyl]-N-[(4-dimethylaminophenyl)methyl]propanamide IUPAC Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[(4-dimethylaminophenyl)methyl]propanamide Traditional Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[4-(dimethylamino)benzyl]propionamide Formula: C24H33N3O3S MolecularWeight: 443.60212

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)CNC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CN(C)C1=CC=C(C=C1)CNC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C24H33N3O3S/c1-26(2)22-12-7-21(8-13-22)19-25-24(28)16-11-20-9-14-23(15-10-20)31(29,30)27-17-5-3-4-6-18-27/h7-10,12-15H,3-6,11,16-19H2,1-2H3,(H,25,28)