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

Systemtic Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[(3,4-dimethoxyphenyl)methyl]propanamide Openeye Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[(3,4-dimethoxyphenyl)methyl]propanamide CAS Name: 3-[4-(1-azepanylsulfonyl)phenyl]-N-[(3,4-dimethoxyphenyl)methyl]propanamide IUPAC Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[(3,4-dimethoxyphenyl)methyl]propanamide Traditional Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-veratryl-propionamide Formula: C24H32N2O5S MolecularWeight: 460.58628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)OC

InChI

InChI=1S/C24H32N2O5S/c1-30-22-13-9-20(17-23(22)31-2)18-25-24(27)14-10-19-7-11-21(12-8-19)32(28,29)26-15-5-3-4-6-16-26/h7-9,11-13,17H,3-6,10,14-16,18H2,1-2H3,(H,25,27)