2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-N-[(2,3-dimethoxyphenyl)methyl]-N-methyl-ethanamide

Systemtic Name: 2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-N-[(2,3-dimethoxyphenyl)methyl]-N-methyl-ethanamide Openeye Name: 2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]sulfanyl]-N-[(2,3-dimethoxyphenyl)methyl]-N-methyl-acetamide CAS Name: 2-[[5-(1-azepanylsulfonyl)-2-pyridinyl]thio]-N-[(2,3-dimethoxyphenyl)methyl]-N-methylacetamide IUPAC Name: 2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-N-[(2,3-dimethoxyphenyl)methyl]-N-methylacetamide Traditional Name: 2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]thio]-N-methyl-N-o-veratryl-acetamide Formula: C23H31N3O5S2 MolecularWeight: 493.63934

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=C(C(=CC=C1)OC)OC)C(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CN(CC1=C(C(=CC=C1)OC)OC)C(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C23H31N3O5S2/c1-25(16-18-9-8-10-20(30-2)23(18)31-3)22(27)17-32-21-12-11-19(15-24-21)33(28,29)26-13-6-4-5-7-14-26/h8-12,15H,4-7,13-14,16-17H2,1-3H3