N-(2,6-dimethoxypyrimidin-4-yl)-4-[(2-oxidanyl-3-prop-2-enyl-phenyl)methylamino]benzenesulfonamide

Systemtic Name: N-(2,6-dimethoxypyrimidin-4-yl)-4-[(2-oxidanyl-3-prop-2-enyl-phenyl)methylamino]benzenesulfonamide Openeye Name: 4-[(3-allyl-2-hydroxy-phenyl)methylamino]-N-(2,6-dimethoxypyrimidin-4-yl)benzenesulfonamide CAS Name: N-(2,6-dimethoxy-4-pyrimidinyl)-4-[(2-hydroxy-3-prop-2-enylphenyl)methylamino]benzenesulfonamide IUPAC Name: N-(2,6-dimethoxypyrimidin-4-yl)-4-[(2-hydroxy-3-prop-2-enylphenyl)methylamino]benzenesulfonamide Traditional Name: 4-[(3-allyl-2-hydroxy-benzyl)amino]-N-(2,6-dimethoxypyrimidin-4-yl)benzenesulfonamide Formula: C22H24N4O5S MolecularWeight: 456.51476

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)NCC3=CC=CC(=C3O)CC=C)OC

Isomeric SMILES

COC1=NC(=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)NCC3=CC=CC(=C3O)CC=C)OC

InChI

InChI=1S/C22H24N4O5S/c1-4-6-15-7-5-8-16(21(15)27)14-23-17-9-11-18(12-10-17)32(28,29)26-19-13-20(30-2)25-22(24-19)31-3/h4-5,7-13,23,27H,1,6,14H2,2-3H3,(H,24,25,26)