6-tert-butyl-4-methylsulfonyl-N-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Systemtic Name: 6-tert-butyl-4-methylsulfonyl-N-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: 6-tert-butyl-4-methylsulfonyl-N-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: 6-tert-butyl-4-methylsulfonyl-N-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: 6-tert-butyl-4-methylsulfonyl-N-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: 6-tert-butyl-4-mesyl-N-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C21H23F3N2O4S MolecularWeight: 456.47853

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC2=C(C=C1)OC(CN2S(=O)(=O)C)C(=O)NC3=CC=CC=C3C(F)(F)F

Isomeric SMILES

CC(C)(C)C1=CC2=C(C=C1)OC(CN2S(=O)(=O)C)C(=O)NC3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C21H23F3N2O4S/c1-20(2,3)13-9-10-17-16(11-13)26(31(4,28)29)12-18(30-17)19(27)25-15-8-6-5-7-14(15)21(22,23)24/h5-11,18H,12H2,1-4H3,(H,25,27)