N-[3-(azepan-1-ylsulfonyl)phenyl]-3-(3,5-dimethoxyphenyl)propanamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-3-(3,5-dimethoxyphenyl)propanamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-3-(3,5-dimethoxyphenyl)propanamide CAS Name: N-[3-(1-azepanylsulfonyl)phenyl]-3-(3,5-dimethoxyphenyl)propanamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-3-(3,5-dimethoxyphenyl)propanamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-3-(3,5-dimethoxyphenyl)propionamide Formula: C23H30N2O5S MolecularWeight: 446.5597

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)CCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3)OC

Isomeric SMILES

COC1=CC(=CC(=C1)CCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3)OC

InChI

InChI=1S/C23H30N2O5S/c1-29-20-14-18(15-21(17-20)30-2)10-11-23(26)24-19-8-7-9-22(16-19)31(27,28)25-12-5-3-4-6-13-25/h7-9,14-17H,3-6,10-13H2,1-2H3,(H,24,26)