6-tert-butyl-N-(4-chloranyl-2-methyl-phenyl)-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Systemtic Name: 6-tert-butyl-N-(4-chloranyl-2-methyl-phenyl)-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: 6-tert-butyl-N-(4-chloro-2-methyl-phenyl)-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: 6-tert-butyl-N-(4-chloro-2-methylphenyl)-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: 6-tert-butyl-N-(4-chloro-2-methylphenyl)-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: 6-tert-butyl-N-(4-chloro-2-methyl-phenyl)-4-mesyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C21H25ClN2O4S MolecularWeight: 436.9522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)NC(=O)C2CN(C3=C(O2)C=CC(=C3)C(C)(C)C)S(=O)(=O)C

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)NC(=O)C2CN(C3=C(O2)C=CC(=C3)C(C)(C)C)S(=O)(=O)C

InChI

InChI=1S/C21H25ClN2O4S/c1-13-10-15(22)7-8-16(13)23-20(25)19-12-24(29(5,26)27)17-11-14(21(2,3)4)6-9-18(17)28-19/h6-11,19H,12H2,1-5H3,(H,23,25)