N-(4-bromanyl-2-fluoranyl-phenyl)-2-[6-(4-methylpiperidin-1-yl)sulfonyl-3-oxidanylidene-1,4-benzoxazin-4-yl]ethanamide

Systemtic Name: N-(4-bromanyl-2-fluoranyl-phenyl)-2-[6-(4-methylpiperidin-1-yl)sulfonyl-3-oxidanylidene-1,4-benzoxazin-4-yl]ethanamide Openeye Name: N-(4-bromo-2-fluoro-phenyl)-2-[6-[(4-methyl-1-piperidyl)sulfonyl]-3-oxo-1,4-benzoxazin-4-yl]acetamide CAS Name: N-(4-bromo-2-fluorophenyl)-2-[6-[(4-methyl-1-piperidinyl)sulfonyl]-3-oxo-1,4-benzoxazin-4-yl]acetamide IUPAC Name: N-(4-bromo-2-fluorophenyl)-2-[6-(4-methylpiperidin-1-yl)sulfonyl-3-oxo-1,4-benzoxazin-4-yl]acetamide Traditional Name: N-(4-bromo-2-fluoro-phenyl)-2-[3-keto-6-(4-methylpiperidino)sulfonyl-1,4-benzoxazin-4-yl]acetamide Formula: C22H23BrFN3O5S MolecularWeight: 540.402523

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)OCC(=O)N3CC(=O)NC4=C(C=C(C=C4)Br)F

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)OCC(=O)N3CC(=O)NC4=C(C=C(C=C4)Br)F

InChI

InChI=1S/C22H23BrFN3O5S/c1-14-6-8-26(9-7-14)33(30,31)16-3-5-20-19(11-16)27(22(29)13-32-20)12-21(28)25-18-4-2-15(23)10-17(18)24/h2-5,10-11,14H,6-9,12-13H2,1H3,(H,25,28)