3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(2-morpholin-4-ylphenyl)propanamide

Systemtic Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(2-morpholin-4-ylphenyl)propanamide Openeye Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(2-morpholinophenyl)propanamide CAS Name: 3-[4-(1-azepanylsulfonyl)phenyl]-N-[2-(4-morpholinyl)phenyl]propanamide IUPAC Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(2-morpholin-4-ylphenyl)propanamide Traditional Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(2-morpholinophenyl)propionamide Formula: C25H33N3O4S MolecularWeight: 471.61222

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)NC3=CC=CC=C3N4CCOCC4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)NC3=CC=CC=C3N4CCOCC4

InChI

InChI=1S/C25H33N3O4S/c29-25(26-23-7-3-4-8-24(23)27-17-19-32-20-18-27)14-11-21-9-12-22(13-10-21)33(30,31)28-15-5-1-2-6-16-28/h3-4,7-10,12-13H,1-2,5-6,11,14-20H2,(H,26,29)