N-(4-bromanyl-2-fluoranyl-phenyl)-4-(phenylmethyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Systemtic Name: N-(4-bromanyl-2-fluoranyl-phenyl)-4-(phenylmethyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: 4-benzylsulfonyl-N-(4-bromo-2-fluoro-phenyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: N-(4-bromo-2-fluorophenyl)-4-(phenylmethyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: 4-benzylsulfonyl-N-(4-bromo-2-fluorophenyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: 4-benzylsulfonyl-N-(4-bromo-2-fluoro-phenyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C22H18BrFN2O4S MolecularWeight: 505.356723

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2N1S(=O)(=O)CC3=CC=CC=C3)C(=O)NC4=C(C=C(C=C4)Br)F

Isomeric SMILES

C1C(OC2=CC=CC=C2N1S(=O)(=O)CC3=CC=CC=C3)C(=O)NC4=C(C=C(C=C4)Br)F

InChI

InChI=1S/C22H18BrFN2O4S/c23-16-10-11-18(17(24)12-16)25-22(27)21-13-26(19-8-4-5-9-20(19)30-21)31(28,29)14-15-6-2-1-3-7-15/h1-12,21H,13-14H2,(H,25,27)