3-(azepan-1-ylsulfonyl)-4-methyl-N-[(4-morpholin-4-ylphenyl)methyl]benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-4-methyl-N-[(4-morpholin-4-ylphenyl)methyl]benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-4-methyl-N-[(4-morpholinophenyl)methyl]benzamide CAS Name: 3-(1-azepanylsulfonyl)-4-methyl-N-[[4-(4-morpholinyl)phenyl]methyl]benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-4-methyl-N-[(4-morpholin-4-ylphenyl)methyl]benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-4-methyl-N-(4-morpholinobenzyl)benzamide Formula: C25H33N3O4S MolecularWeight: 471.61222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NCC2=CC=C(C=C2)N3CCOCC3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NCC2=CC=C(C=C2)N3CCOCC3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C25H33N3O4S/c1-20-6-9-22(18-24(20)33(30,31)28-12-4-2-3-5-13-28)25(29)26-19-21-7-10-23(11-8-21)27-14-16-32-17-15-27/h6-11,18H,2-5,12-17,19H2,1H3,(H,26,29)