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

Systemtic Name: N-[4-[(1,3-benzodioxol-5-ylcarbonylamino)carbamoyl]phenyl]-3-nitro-benzenesulfonamide Openeye Name: N-[4-[(1,3-benzodioxole-5-carbonylamino)carbamoyl]phenyl]-3-nitro-benzenesulfonamide CAS Name: N-[4-[[[1,3-benzodioxol-5-yl(oxo)methyl]hydrazo]-oxomethyl]phenyl]-3-nitrobenzenesulfonamide IUPAC Name: N-[4-[(1,3-benzodioxole-5-carbonylamino)carbamoyl]phenyl]-3-nitrobenzenesulfonamide Traditional Name: 3-nitro-N-[4-[(piperonyloylamino)carbamoyl]phenyl]benzenesulfonamide Formula: C21H16N4O8S MolecularWeight: 484.43874

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)NNC(=O)C3=CC=C(C=C3)NS(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)NNC(=O)C3=CC=C(C=C3)NS(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H16N4O8S/c26-20(22-23-21(27)14-6-9-18-19(10-14)33-12-32-18)13-4-7-15(8-5-13)24-34(30,31)17-3-1-2-16(11-17)25(28)29/h1-11,24H,12H2,(H,22,26)(H,23,27)