N-(2,6-dimethoxypyrimidin-4-yl)-4-[(3-oxidanylidene-3-phenyl-propyl)amino]benzenesulfonamide

Systemtic Name: N-(2,6-dimethoxypyrimidin-4-yl)-4-[(3-oxidanylidene-3-phenyl-propyl)amino]benzenesulfonamide Openeye Name: N-(2,6-dimethoxypyrimidin-4-yl)-4-[(3-oxo-3-phenyl-propyl)amino]benzenesulfonamide CAS Name: N-(2,6-dimethoxy-4-pyrimidinyl)-4-[(3-oxo-3-phenylpropyl)amino]benzenesulfonamide IUPAC Name: N-(2,6-dimethoxypyrimidin-4-yl)-4-[(3-oxo-3-phenylpropyl)amino]benzenesulfonamide Traditional Name: N-(2,6-dimethoxypyrimidin-4-yl)-4-[(3-keto-3-phenyl-propyl)amino]benzenesulfonamide Formula: C21H22N4O5S MolecularWeight: 442.48818

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)NCCC(=O)C3=CC=CC=C3)OC

Isomeric SMILES

COC1=NC(=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)NCCC(=O)C3=CC=CC=C3)OC

InChI

InChI=1S/C21H22N4O5S/c1-29-20-14-19(23-21(24-20)30-2)25-31(27,28)17-10-8-16(9-11-17)22-13-12-18(26)15-6-4-3-5-7-15/h3-11,14,22H,12-13H2,1-2H3,(H,23,24,25)