N-[(3,4-dimethoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)-2-oxidanylidene-3H-1,3-benzoxazole-6-sulfonamide

Systemtic Name: N-[(3,4-dimethoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)-2-oxidanylidene-3H-1,3-benzoxazole-6-sulfonamide Openeye Name: N-[(3,4-dimethoxyphenyl)methyl]-N-(2-morpholinoethyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide CAS Name: N-[(3,4-dimethoxyphenyl)methyl]-N-[2-(4-morpholinyl)ethyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide IUPAC Name: N-[(3,4-dimethoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide Traditional Name: 2-keto-N-(2-morpholinoethyl)-N-veratryl-3H-1,3-benzoxazole-6-sulfonamide Formula: C22H27N3O7S MolecularWeight: 477.53068

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN(CCN2CCOCC2)S(=O)(=O)C3=CC4=C(C=C3)NC(=O)O4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CN(CCN2CCOCC2)S(=O)(=O)C3=CC4=C(C=C3)NC(=O)O4)OC

InChI

InChI=1S/C22H27N3O7S/c1-29-19-6-3-16(13-21(19)30-2)15-25(8-7-24-9-11-31-12-10-24)33(27,28)17-4-5-18-20(14-17)32-22(26)23-18/h3-6,13-14H,7-12,15H2,1-2H3,(H,23,26)