3-(azepan-1-ylsulfonyl)-4-chloranyl-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-4-chloranyl-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide CAS Name: 3-(1-azepanylsulfonyl)-4-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-homoveratryl-benzamide Formula: C23H29ClN2O5S MolecularWeight: 481.00476

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCCC3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCCC3)OC

InChI

InChI=1S/C23H29ClN2O5S/c1-30-20-10-7-17(15-21(20)31-2)11-12-25-23(27)18-8-9-19(24)22(16-18)32(28,29)26-13-5-3-4-6-14-26/h7-10,15-16H,3-6,11-14H2,1-2H3,(H,25,27)