[4-(butylcarbamoyl)phenyl] 3-nitrobenzenesulfonate

Systemtic Name: [4-(butylcarbamoyl)phenyl] 3-nitrobenzenesulfonate Openeye Name: [4-(butylcarbamoyl)phenyl] 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid [4-[butylamino(oxo)methyl]phenyl] ester IUPAC Name: [4-(butylcarbamoyl)phenyl] 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid [4-(butylcarbamoyl)phenyl] ester Formula: C17H18N2O6S MolecularWeight: 378.39962

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N2O6S/c1-2-3-11-18-17(20)13-7-9-15(10-8-13)25-26(23,24)16-6-4-5-14(12-16)19(21)22/h4-10,12H,2-3,11H2,1H3,(H,18,20)