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

Systemtic Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(3-morpholin-4-ylpropyl)propanamide Openeye Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(3-morpholinopropyl)propanamide CAS Name: 3-[4-(1-azepanylsulfonyl)phenyl]-N-[3-(4-morpholinyl)propyl]propanamide IUPAC Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(3-morpholin-4-ylpropyl)propanamide Traditional Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(3-morpholinopropyl)propionamide Formula: C22H35N3O4S MolecularWeight: 437.596

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)NCCCN3CCOCC3

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)NCCCN3CCOCC3

InChI

InChI=1S/C22H35N3O4S/c26-22(23-12-5-13-24-16-18-29-19-17-24)11-8-20-6-9-21(10-7-20)30(27,28)25-14-3-1-2-4-15-25/h6-7,9-10H,1-5,8,11-19H2,(H,23,26)