N-butyl-3-[[5-cyano-6-(4-methoxyphenyl)-4-oxidanylidene-1H-pyrimidin-2-yl]amino]benzenesulfonamide

Systemtic Name: N-butyl-3-[[5-cyano-6-(4-methoxyphenyl)-4-oxidanylidene-1H-pyrimidin-2-yl]amino]benzenesulfonamide Openeye Name: N-butyl-3-[[5-cyano-6-(4-methoxyphenyl)-4-oxo-1H-pyrimidin-2-yl]amino]benzenesulfonamide CAS Name: N-butyl-3-[[5-cyano-6-(4-methoxyphenyl)-4-oxo-1H-pyrimidin-2-yl]amino]benzenesulfonamide IUPAC Name: N-butyl-3-[[5-cyano-6-(4-methoxyphenyl)-4-oxo-1H-pyrimidin-2-yl]amino]benzenesulfonamide Traditional Name: N-butyl-3-[[5-cyano-4-keto-6-(4-methoxyphenyl)-1H-pyrimidin-2-yl]amino]benzenesulfonamide Formula: C22H23N5O4S MolecularWeight: 453.51412

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNS(=O)(=O)C1=CC=CC(=C1)NC2=NC(=O)C(=C(N2)C3=CC=C(C=C3)OC)C#N

Isomeric SMILES

CCCCNS(=O)(=O)C1=CC=CC(=C1)NC2=NC(=O)C(=C(N2)C3=CC=C(C=C3)OC)C#N

InChI

InChI=1S/C22H23N5O4S/c1-3-4-12-24-32(29,30)18-7-5-6-16(13-18)25-22-26-20(19(14-23)21(28)27-22)15-8-10-17(31-2)11-9-15/h5-11,13,24H,3-4,12H2,1-2H3,(H2,25,26,27,28)