4-butoxy-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfonylamino]phenyl]benzenecarboximidate

Systemtic Name: 4-butoxy-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfonylamino]phenyl]benzenecarboximidate Openeye Name: 4-butoxy-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfonylamino]phenyl]benzenecarboximidate CAS Name: 4-butoxy-N-[4-[(4,6-dimethyl-2-pyrimidinyl)sulfonylamino]phenyl]benzenecarboximidate IUPAC Name: 4-butoxy-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfonylamino]phenyl]benzenecarboximidate Traditional Name: 4-butoxy-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfonylamino]phenyl]benzenecarboximidate Formula: C23H25N4O4S- MolecularWeight: 453.534

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=NC2=CC=C(C=C2)NS(=O)(=O)C3=NC(=CC(=N3)C)C)[O-]

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=NC2=CC=C(C=C2)NS(=O)(=O)C3=NC(=CC(=N3)C)C)[O-]

InChI

InChI=1S/C23H26N4O4S/c1-4-5-14-31-21-12-6-18(7-13-21)22(28)26-19-8-10-20(11-9-19)27-32(29,30)23-24-16(2)15-17(3)25-23/h6-13,15,27H,4-5,14H2,1-3H3,(H,26,28)/p-1