4-[[4-[1,3-benzodioxol-5-ylmethyl(methyl)carbamoyl]phenyl]sulfamoyl]-2-nitro-phenolate

Systemtic Name: 4-[[4-[1,3-benzodioxol-5-ylmethyl(methyl)carbamoyl]phenyl]sulfamoyl]-2-nitro-phenolate Openeye Name: 4-[[4-[1,3-benzodioxol-5-ylmethyl(methyl)carbamoyl]phenyl]sulfamoyl]-2-nitro-phenolate CAS Name: 4-[[4-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]-oxomethyl]phenyl]sulfamoyl]-2-nitrophenolate IUPAC Name: 4-[[4-[1,3-benzodioxol-5-ylmethyl(methyl)carbamoyl]phenyl]sulfamoyl]-2-nitrophenolate Traditional Name: 4-[[4-[methyl(piperonyl)carbamoyl]phenyl]sulfamoyl]-2-nitro-phenolate Formula: C22H18N3O8S- MolecularWeight: 484.45862

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC2=C(C=C1)OCO2)C(=O)C3=CC=C(C=C3)NS(=O)(=O)C4=CC(=C(C=C4)[O-])[N+](=O)[O-]

Isomeric SMILES

CN(CC1=CC2=C(C=C1)OCO2)C(=O)C3=CC=C(C=C3)NS(=O)(=O)C4=CC(=C(C=C4)[O-])[N+](=O)[O-]

InChI

InChI=1S/C22H19N3O8S/c1-24(12-14-2-9-20-21(10-14)33-13-32-20)22(27)15-3-5-16(6-4-15)23-34(30,31)17-7-8-19(26)18(11-17)25(28)29/h2-11,23,26H,12-13H2,1H3/p-1