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

Systemtic Name: 2-[(3,4-dimethylphenyl)-methylsulfonyl-amino]-N-(3-morpholin-4-ylpropyl)butanamide Openeye Name: 2-(3,4-dimethyl-N-methylsulfonyl-anilino)-N-(3-morpholinopropyl)butanamide CAS Name: 2-(3,4-dimethyl-N-methylsulfonylanilino)-N-[3-(4-morpholinyl)propyl]butanamide IUPAC Name: 2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(3-morpholin-4-ylpropyl)butanamide Traditional Name: 2-(N-mesyl-3,4-dimethyl-anilino)-N-(3-morpholinopropyl)butyramide Formula: C20H33N3O4S MolecularWeight: 411.55872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H33N3O4S/c1-5-19(20(24)21-9-6-10-22-11-13-27-14-12-22)23(28(4,25)26)18-8-7-16(2)17(3)15-18/h7-8,15,19H,5-6,9-14H2,1-4H3,(H,21,24)