[4-(1,3-benzodioxol-5-ylcarbonylamino)phenyl]sulfonyl-(4,6-dimethylpyrimidin-2-yl)azanide

Systemtic Name: [4-(1,3-benzodioxol-5-ylcarbonylamino)phenyl]sulfonyl-(4,6-dimethylpyrimidin-2-yl)azanide Openeye Name: [4-(1,3-benzodioxole-5-carbonylamino)phenyl]sulfonyl-(4,6-dimethylpyrimidin-2-yl)azanide CAS Name: [4-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]phenyl]sulfonyl-(4,6-dimethyl-2-pyrimidinyl)azanide IUPAC Name: [4-(1,3-benzodioxole-5-carbonylamino)phenyl]sulfonyl-(4,6-dimethylpyrimidin-2-yl)azanide Traditional Name: (4,6-dimethylpyrimidin-2-yl)-[4-(piperonyloylamino)phenyl]sulfonyl-azanide Formula: C20H17N4O5S- MolecularWeight: 425.43778

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)[N-]S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC4=C(C=C3)OCO4)C

Isomeric SMILES

CC1=CC(=NC(=N1)[N-]S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC4=C(C=C3)OCO4)C

InChI

InChI=1S/C20H18N4O5S/c1-12-9-13(2)22-20(21-12)24-30(26,27)16-6-4-15(5-7-16)23-19(25)14-3-8-17-18(10-14)29-11-28-17/h3-10H,11H2,1-2H3,(H2,21,22,23,24,25)/p-1