N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]methanesulfonamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]methanesulfonamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(4-oxo-1H-quinazolin-2-yl)methyl]methanesulfonamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(4-oxo-1H-quinazolin-2-yl)methyl]methanesulfonamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(4-oxo-1H-quinazolin-2-yl)methyl]methanesulfonamide Traditional Name: N-homoveratryl-N-[(4-keto-1H-quinazolin-2-yl)methyl]methanesulfonamide Formula: C20H23N3O5S MolecularWeight: 417.47872

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCN(CC2=NC(=O)C3=CC=CC=C3N2)S(=O)(=O)C)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCN(CC2=NC(=O)C3=CC=CC=C3N2)S(=O)(=O)C)OC

InChI

InChI=1S/C20H23N3O5S/c1-27-17-9-8-14(12-18(17)28-2)10-11-23(29(3,25)26)13-19-21-16-7-5-4-6-15(16)20(24)22-19/h4-9,12H,10-11,13H2,1-3H3,(H,21,22,24)