[4-[(2-prop-2-enylsulfanylphenyl)carbamoyl]phenyl] 3-nitrobenzenesulfonate

Systemtic Name: [4-[(2-prop-2-enylsulfanylphenyl)carbamoyl]phenyl] 3-nitrobenzenesulfonate Openeye Name: [4-[(2-allylsulfanylphenyl)carbamoyl]phenyl] 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid [4-[oxo-[2-(prop-2-enylthio)anilino]methyl]phenyl] ester IUPAC Name: [4-[(2-prop-2-enylsulfanylphenyl)carbamoyl]phenyl] 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid [4-[[2-(allylthio)phenyl]carbamoyl]phenyl] ester Formula: C22H18N2O6S2 MolecularWeight: 470.51812

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=CC=CC=C1NC(=O)C2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

C=CCSC1=CC=CC=C1NC(=O)C2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H18N2O6S2/c1-2-14-31-21-9-4-3-8-20(21)23-22(25)16-10-12-18(13-11-16)30-32(28,29)19-7-5-6-17(15-19)24(26)27/h2-13,15H,1,14H2,(H,23,25)