N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: N-homoveratryl-4-mesyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C20H24N2O6S MolecularWeight: 420.47936

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)C2CN(C3=CC=CC=C3O2)S(=O)(=O)C)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)C2CN(C3=CC=CC=C3O2)S(=O)(=O)C)OC

InChI

InChI=1S/C20H24N2O6S/c1-26-17-9-8-14(12-18(17)27-2)10-11-21-20(23)19-13-22(29(3,24)25)15-6-4-5-7-16(15)28-19/h4-9,12,19H,10-11,13H2,1-3H3,(H,21,23)