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

Systemtic Name: 6-tert-butyl-N-[4-(cyanomethyl)phenyl]-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: 6-tert-butyl-N-[4-(cyanomethyl)phenyl]-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: 6-tert-butyl-N-[4-(cyanomethyl)phenyl]-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: 6-tert-butyl-N-[4-(cyanomethyl)phenyl]-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: 6-tert-butyl-N-[4-(cyanomethyl)phenyl]-4-mesyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C22H25N3O4S MolecularWeight: 427.5166

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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=C(C=C3)CC#N

Isomeric SMILES

CC(C)(C)C1=CC2=C(C=C1)OC(CN2S(=O)(=O)C)C(=O)NC3=CC=C(C=C3)CC#N

InChI

InChI=1S/C22H25N3O4S/c1-22(2,3)16-7-10-19-18(13-16)25(30(4,27)28)14-20(29-19)21(26)24-17-8-5-15(6-9-17)11-12-23/h5-10,13,20H,11,14H2,1-4H3,(H,24,26)