2-(4-methylsulfonyl-1,4-diazepan-1-yl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]propanamide

Systemtic Name: 2-(4-methylsulfonyl-1,4-diazepan-1-yl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]propanamide Openeye Name: 2-(4-methylsulfonyl-1,4-diazepan-1-yl)-N-[2-morpholino-5-(trifluoromethyl)phenyl]propanamide CAS Name: 2-(4-methylsulfonyl-1,4-diazepan-1-yl)-N-[2-(4-morpholinyl)-5-(trifluoromethyl)phenyl]propanamide IUPAC Name: 2-(4-methylsulfonyl-1,4-diazepan-1-yl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]propanamide Traditional Name: 2-(4-mesyl-1,4-diazepan-1-yl)-N-[2-morpholino-5-(trifluoromethyl)phenyl]propionamide Formula: C20H29F3N4O4S MolecularWeight: 478.52887

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)C(F)(F)F)N2CCOCC2)N3CCCN(CC3)S(=O)(=O)C

Isomeric SMILES

CC(C(=O)NC1=C(C=CC(=C1)C(F)(F)F)N2CCOCC2)N3CCCN(CC3)S(=O)(=O)C

InChI

InChI=1S/C20H29F3N4O4S/c1-15(25-6-3-7-27(9-8-25)32(2,29)30)19(28)24-17-14-16(20(21,22)23)4-5-18(17)26-10-12-31-13-11-26/h4-5,14-15H,3,6-13H2,1-2H3,(H,24,28)