5-(azepan-1-ylsulfonyl)-2-chloranyl-N-[(4-ethoxy-3-methoxy-phenyl)methyl]benzamide

Systemtic Name: 5-(azepan-1-ylsulfonyl)-2-chloranyl-N-[(4-ethoxy-3-methoxy-phenyl)methyl]benzamide Openeye Name: 5-(azepan-1-ylsulfonyl)-2-chloro-N-[(4-ethoxy-3-methoxy-phenyl)methyl]benzamide CAS Name: 5-(1-azepanylsulfonyl)-2-chloro-N-[(4-ethoxy-3-methoxyphenyl)methyl]benzamide IUPAC Name: 5-(azepan-1-ylsulfonyl)-2-chloro-N-[(4-ethoxy-3-methoxyphenyl)methyl]benzamide Traditional Name: 5-(azepan-1-ylsulfonyl)-2-chloro-N-(4-ethoxy-3-methoxy-benzyl)benzamide Formula: C23H29ClN2O5S MolecularWeight: 481.00476

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)Cl)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)Cl)OC

InChI

InChI=1S/C23H29ClN2O5S/c1-3-31-21-11-8-17(14-22(21)30-2)16-25-23(27)19-15-18(9-10-20(19)24)32(28,29)26-12-6-4-5-7-13-26/h8-11,14-15H,3-7,12-13,16H2,1-2H3,(H,25,27)