N-[3-[(3-methylsulfonylphenyl)carbonylamino]phenyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[3-[(3-methylsulfonylphenyl)carbonylamino]phenyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[3-[(3-methylsulfonylbenzoyl)amino]phenyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[3-[[(3-methylsulfonylphenyl)-oxomethyl]amino]phenyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[3-[(3-methylsulfonylbenzoyl)amino]phenyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[3-[(3-mesylbenzoyl)amino]phenyl]-piperonylamide Formula: C22H18N2O6S MolecularWeight: 438.45312

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC(=C1)C(=O)NC2=CC=CC(=C2)NC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CS(=O)(=O)C1=CC=CC(=C1)C(=O)NC2=CC=CC(=C2)NC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H18N2O6S/c1-31(27,28)18-7-2-4-14(10-18)21(25)23-16-5-3-6-17(12-16)24-22(26)15-8-9-19-20(11-15)30-13-29-19/h2-12H,13H2,1H3,(H,23,25)(H,24,26)