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

Systemtic Name: N-(4,6-dimethylpyrimidin-2-yl)-4-[(2-oxidanyl-3-prop-2-enyl-phenyl)methylamino]benzenesulfonamide Openeye Name: 4-[(3-allyl-2-hydroxy-phenyl)methylamino]-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide CAS Name: N-(4,6-dimethyl-2-pyrimidinyl)-4-[(2-hydroxy-3-prop-2-enylphenyl)methylamino]benzenesulfonamide IUPAC Name: N-(4,6-dimethylpyrimidin-2-yl)-4-[(2-hydroxy-3-prop-2-enylphenyl)methylamino]benzenesulfonamide Traditional Name: 4-[(3-allyl-2-hydroxy-benzyl)amino]-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide Formula: C22H24N4O3S MolecularWeight: 424.51596

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NCC3=CC=CC(=C3O)CC=C)C

Isomeric SMILES

CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NCC3=CC=CC(=C3O)CC=C)C

InChI

InChI=1S/C22H24N4O3S/c1-4-6-17-7-5-8-18(21(17)27)14-23-19-9-11-20(12-10-19)30(28,29)26-22-24-15(2)13-16(3)25-22/h4-5,7-13,23,27H,1,6,14H2,2-3H3,(H,24,25,26)