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

Systemtic Name: 2-[(4-methylphenyl)-methylsulfonyl-amino]-N-(3-morpholin-4-ylpropyl)butanamide Openeye Name: 2-(4-methyl-N-methylsulfonyl-anilino)-N-(3-morpholinopropyl)butanamide CAS Name: 2-(4-methyl-N-methylsulfonylanilino)-N-[3-(4-morpholinyl)propyl]butanamide IUPAC Name: 2-(4-methyl-N-methylsulfonylanilino)-N-(3-morpholin-4-ylpropyl)butanamide Traditional Name: 2-(N-mesyl-4-methyl-anilino)-N-(3-morpholinopropyl)butyramide Formula: C19H31N3O4S MolecularWeight: 397.53214

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H31N3O4S/c1-4-18(19(23)20-10-5-11-21-12-14-26-15-13-21)22(27(3,24)25)17-8-6-16(2)7-9-17/h6-9,18H,4-5,10-15H2,1-3H3,(H,20,23)