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

Systemtic Name: 3-(azepan-1-ylsulfonyl)-4-chloranyl-N-[2-(2-methoxyphenyl)ethyl]benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-[2-(2-methoxyphenyl)ethyl]benzamide CAS Name: 3-(1-azepanylsulfonyl)-4-chloro-N-[2-(2-methoxyphenyl)ethyl]benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-[2-(2-methoxyphenyl)ethyl]benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-[2-(2-methoxyphenyl)ethyl]benzamide Formula: C22H27ClN2O4S MolecularWeight: 450.97878

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CCNC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

COC1=CC=CC=C1CCNC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C22H27ClN2O4S/c1-29-20-9-5-4-8-17(20)12-13-24-22(26)18-10-11-19(23)21(16-18)30(27,28)25-14-6-2-3-7-15-25/h4-5,8-11,16H,2-3,6-7,12-15H2,1H3,(H,24,26)