[4-[1,3-benzodioxol-5-ylmethyl(ethyl)carbamoyl]phenyl] 3-nitrobenzenesulfonate

Systemtic Name: [4-[1,3-benzodioxol-5-ylmethyl(ethyl)carbamoyl]phenyl] 3-nitrobenzenesulfonate Openeye Name: [4-[1,3-benzodioxol-5-ylmethyl(ethyl)carbamoyl]phenyl] 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid [4-[[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-oxomethyl]phenyl] ester IUPAC Name: [4-[1,3-benzodioxol-5-ylmethyl(ethyl)carbamoyl]phenyl] 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid [4-[ethyl(piperonyl)carbamoyl]phenyl] ester Formula: C23H20N2O8S MolecularWeight: 484.4785

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H20N2O8S/c1-2-24(14-16-6-11-21-22(12-16)32-15-31-21)23(26)17-7-9-19(10-8-17)33-34(29,30)20-5-3-4-18(13-20)25(27)28/h3-13H,2,14-15H2,1H3