6-tert-butyl-4-methylsulfonyl-N-(pyridin-3-ylmethyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Systemtic Name: 6-tert-butyl-4-methylsulfonyl-N-(pyridin-3-ylmethyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: 6-tert-butyl-4-methylsulfonyl-N-(3-pyridylmethyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: 6-tert-butyl-4-methylsulfonyl-N-(3-pyridinylmethyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: 6-tert-butyl-4-methylsulfonyl-N-(pyridin-3-ylmethyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: 6-tert-butyl-4-mesyl-N-(3-pyridylmethyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C20H25N3O4S MolecularWeight: 403.4952

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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)NCC3=CN=CC=C3

Isomeric SMILES

CC(C)(C)C1=CC2=C(C=C1)OC(CN2S(=O)(=O)C)C(=O)NCC3=CN=CC=C3

InChI

InChI=1S/C20H25N3O4S/c1-20(2,3)15-7-8-17-16(10-15)23(28(4,25)26)13-18(27-17)19(24)22-12-14-6-5-9-21-11-14/h5-11,18H,12-13H2,1-4H3,(H,22,24)