4-[(4-fluorophenyl)-methylsulfonyl-amino]-N-[(4-morpholin-4-ylphenyl)methyl]butanamide

Systemtic Name: 4-[(4-fluorophenyl)-methylsulfonyl-amino]-N-[(4-morpholin-4-ylphenyl)methyl]butanamide Openeye Name: 4-(4-fluoro-N-methylsulfonyl-anilino)-N-[(4-morpholinophenyl)methyl]butanamide CAS Name: 4-(4-fluoro-N-methylsulfonylanilino)-N-[[4-(4-morpholinyl)phenyl]methyl]butanamide IUPAC Name: 4-(4-fluoro-N-methylsulfonylanilino)-N-[(4-morpholin-4-ylphenyl)methyl]butanamide Traditional Name: 4-(4-fluoro-N-mesyl-anilino)-N-(4-morpholinobenzyl)butyramide Formula: C22H28FN3O4S MolecularWeight: 449.538823

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CCCC(=O)NCC1=CC=C(C=C1)N2CCOCC2)C3=CC=C(C=C3)F

Isomeric SMILES

CS(=O)(=O)N(CCCC(=O)NCC1=CC=C(C=C1)N2CCOCC2)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H28FN3O4S/c1-31(28,29)26(21-10-6-19(23)7-11-21)12-2-3-22(27)24-17-18-4-8-20(9-5-18)25-13-15-30-16-14-25/h4-11H,2-3,12-17H2,1H3,(H,24,27)