3-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-N-(4-morpholin-4-ylphenyl)propanamide

Systemtic Name: 3-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-N-(4-morpholin-4-ylphenyl)propanamide Openeye Name: N-(4-morpholinophenyl)-3-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]propanamide CAS Name: 3-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-N-[4-(4-morpholinyl)phenyl]propanamide IUPAC Name: 3-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-N-(4-morpholin-4-ylphenyl)propanamide Traditional Name: N-(4-morpholinophenyl)-3-(4-tosyl-1,4-diazepan-1-yl)propionamide Formula: C25H34N4O4S MolecularWeight: 486.62686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)CCC(=O)NC3=CC=C(C=C3)N4CCOCC4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)CCC(=O)NC3=CC=C(C=C3)N4CCOCC4

InChI

InChI=1S/C25H34N4O4S/c1-21-3-9-24(10-4-21)34(31,32)29-13-2-12-27(15-16-29)14-11-25(30)26-22-5-7-23(8-6-22)28-17-19-33-20-18-28/h3-10H,2,11-20H2,1H3,(H,26,30)