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

Systemtic Name: (4,6-dimethoxypyrimidin-2-yl)-[4-[(3-oxidanylidene-3-phenyl-propyl)amino]phenyl]sulfonyl-azanide Openeye Name: (4,6-dimethoxypyrimidin-2-yl)-[4-[(3-oxo-3-phenyl-propyl)amino]phenyl]sulfonyl-azanide CAS Name: (4,6-dimethoxy-2-pyrimidinyl)-[4-[(3-oxo-3-phenylpropyl)amino]phenyl]sulfonylazanide IUPAC Name: (4,6-dimethoxypyrimidin-2-yl)-[4-[(3-oxo-3-phenylpropyl)amino]phenyl]sulfonylazanide Traditional Name: (4,6-dimethoxypyrimidin-2-yl)-[4-[(3-keto-3-phenyl-propyl)amino]phenyl]sulfonyl-azanide Formula: C21H21N4O5S- MolecularWeight: 441.48024

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC(=N1)[N-]S(=O)(=O)C2=CC=C(C=C2)NCCC(=O)C3=CC=CC=C3)OC

Isomeric SMILES

COC1=CC(=NC(=N1)[N-]S(=O)(=O)C2=CC=C(C=C2)NCCC(=O)C3=CC=CC=C3)OC

InChI

InChI=1S/C21H21N4O5S/c1-29-19-14-20(30-2)24-21(23-19)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/q-1