3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(2-methyl-2-morpholin-4-yl-butyl)propanamide

Systemtic Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(2-methyl-2-morpholin-4-yl-butyl)propanamide Openeye Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(2-methyl-2-morpholino-butyl)propanamide CAS Name: 3-[4-(1-azepanylsulfonyl)phenyl]-N-[2-methyl-2-(4-morpholinyl)butyl]propanamide IUPAC Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(2-methyl-2-morpholin-4-ylbutyl)propanamide Traditional Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(2-methyl-2-morpholino-butyl)propionamide Formula: C24H39N3O4S MolecularWeight: 465.64916

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(CNC(=O)CCC1=CC=C(C=C1)S(=O)(=O)N2CCCCCC2)N3CCOCC3

Isomeric SMILES

CCC(C)(CNC(=O)CCC1=CC=C(C=C1)S(=O)(=O)N2CCCCCC2)N3CCOCC3

InChI

InChI=1S/C24H39N3O4S/c1-3-24(2,26-16-18-31-19-17-26)20-25-23(28)13-10-21-8-11-22(12-9-21)32(29,30)27-14-6-4-5-7-15-27/h8-9,11-12H,3-7,10,13-20H2,1-2H3,(H,25,28)