[4-[(4-methylsulfanylphenyl)carbamoyl]phenyl] 3-nitrobenzenesulfonate

Systemtic Name: [4-[(4-methylsulfanylphenyl)carbamoyl]phenyl] 3-nitrobenzenesulfonate Openeye Name: [4-[(4-methylsulfanylphenyl)carbamoyl]phenyl] 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid [4-[[4-(methylthio)anilino]-oxomethyl]phenyl] ester IUPAC Name: [4-[(4-methylsulfanylphenyl)carbamoyl]phenyl] 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid [4-[[4-(methylthio)phenyl]carbamoyl]phenyl] ester Formula: C20H16N2O6S2 MolecularWeight: 444.48084

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CSC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H16N2O6S2/c1-29-18-11-7-15(8-12-18)21-20(23)14-5-9-17(10-6-14)28-30(26,27)19-4-2-3-16(13-19)22(24)25/h2-13H,1H3,(H,21,23)