N-[2-(azepan-1-yl)-5-morpholin-4-ylsulfonyl-phenyl]-3,5-dimethyl-benzamide

Systemtic Name: N-[2-(azepan-1-yl)-5-morpholin-4-ylsulfonyl-phenyl]-3,5-dimethyl-benzamide Openeye Name: N-[2-(azepan-1-yl)-5-morpholinosulfonyl-phenyl]-3,5-dimethyl-benzamide CAS Name: N-[2-(1-azepanyl)-5-(4-morpholinylsulfonyl)phenyl]-3,5-dimethylbenzamide IUPAC Name: N-[2-(azepan-1-yl)-5-morpholin-4-ylsulfonylphenyl]-3,5-dimethylbenzamide Traditional Name: N-[2-(azepan-1-yl)-5-morpholinosulfonyl-phenyl]-3,5-dimethyl-benzamide Formula: C25H33N3O4S MolecularWeight: 471.61222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)N4CCCCCC4)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)N4CCCCCC4)C

InChI

InChI=1S/C25H33N3O4S/c1-19-15-20(2)17-21(16-19)25(29)26-23-18-22(33(30,31)28-11-13-32-14-12-28)7-8-24(23)27-9-5-3-4-6-10-27/h7-8,15-18H,3-6,9-14H2,1-2H3,(H,26,29)