[4-(2-methylbutan-2-ylcarbamoyl)phenyl] 3-nitrobenzenesulfonate

Systemtic Name: [4-(2-methylbutan-2-ylcarbamoyl)phenyl] 3-nitrobenzenesulfonate Openeye Name: [4-(1,1-dimethylpropylcarbamoyl)phenyl] 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid [4-[(2-methylbutan-2-ylamino)-oxomethyl]phenyl] ester IUPAC Name: [4-(2-methylbutan-2-ylcarbamoyl)phenyl] 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid [4-(tert-amylcarbamoyl)phenyl] ester Formula: C18H20N2O6S MolecularWeight: 392.4262

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O6S/c1-4-18(2,3)19-17(21)13-8-10-15(11-9-13)26-27(24,25)16-7-5-6-14(12-16)20(22)23/h5-12H,4H2,1-3H3,(H,19,21)