2-[(3-chlorophenyl)-methylsulfonyl-amino]-N-(3-morpholin-4-ylpropyl)butanamide

Systemtic Name: 2-[(3-chlorophenyl)-methylsulfonyl-amino]-N-(3-morpholin-4-ylpropyl)butanamide Openeye Name: 2-(3-chloro-N-methylsulfonyl-anilino)-N-(3-morpholinopropyl)butanamide CAS Name: 2-(3-chloro-N-methylsulfonylanilino)-N-[3-(4-morpholinyl)propyl]butanamide IUPAC Name: 2-(3-chloro-N-methylsulfonylanilino)-N-(3-morpholin-4-ylpropyl)butanamide Traditional Name: 2-(3-chloro-N-mesyl-anilino)-N-(3-morpholinopropyl)butyramide Formula: C18H28ClN3O4S MolecularWeight: 417.95062

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NCCCN1CCOCC1)N(C2=CC(=CC=C2)Cl)S(=O)(=O)C

Isomeric SMILES

CCC(C(=O)NCCCN1CCOCC1)N(C2=CC(=CC=C2)Cl)S(=O)(=O)C

InChI

InChI=1S/C18H28ClN3O4S/c1-3-17(18(23)20-8-5-9-21-10-12-26-13-11-21)22(27(2,24)25)16-7-4-6-15(19)14-16/h4,6-7,14,17H,3,5,8-13H2,1-2H3,(H,20,23)