2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)ethanamide

Systemtic Name: 2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)ethanamide Openeye Name: 2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-N-(5-methylisoxazol-3-yl)acetamide CAS Name: 2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-N-(5-methyl-3-isoxazolyl)acetamide IUPAC Name: 2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide Traditional Name: 2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-N-(5-methylisoxazol-3-yl)acetamide Formula: C17H21FN4O4S MolecularWeight: 396.436443

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)CN2CCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=CC(=NO1)NC(=O)CN2CCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C17H21FN4O4S/c1-13-11-16(20-26-13)19-17(23)12-21-7-2-8-22(10-9-21)27(24,25)15-5-3-14(18)4-6-15/h3-6,11H,2,7-10,12H2,1H3,(H,19,20,23)