4-[(1,3-benzodioxol-5-ylcarbonylamino)carbamoyl]-N-(2-methoxy-5-nitro-phenyl)benzenesulfonamide

Systemtic Name: 4-[(1,3-benzodioxol-5-ylcarbonylamino)carbamoyl]-N-(2-methoxy-5-nitro-phenyl)benzenesulfonamide Openeye Name: 4-[(1,3-benzodioxole-5-carbonylamino)carbamoyl]-N-(2-methoxy-5-nitro-phenyl)benzenesulfonamide CAS Name: 4-[[[1,3-benzodioxol-5-yl(oxo)methyl]hydrazo]-oxomethyl]-N-(2-methoxy-5-nitrophenyl)benzenesulfonamide IUPAC Name: 4-[(1,3-benzodioxole-5-carbonylamino)carbamoyl]-N-(2-methoxy-5-nitrophenyl)benzenesulfonamide Traditional Name: N-(2-methoxy-5-nitro-phenyl)-4-[(piperonyloylamino)carbamoyl]benzenesulfonamide Formula: C22H18N4O9S MolecularWeight: 514.46472

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])NS(=O)(=O)C2=CC=C(C=C2)C(=O)NNC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])NS(=O)(=O)C2=CC=C(C=C2)C(=O)NNC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H18N4O9S/c1-33-18-9-5-15(26(29)30)11-17(18)25-36(31,32)16-6-2-13(3-7-16)21(27)23-24-22(28)14-4-8-19-20(10-14)35-12-34-19/h2-11,25H,12H2,1H3,(H,23,27)(H,24,28)