[4-(hexylcarbamoyl)phenyl] 3-nitrobenzenesulfonate

Systemtic Name: [4-(hexylcarbamoyl)phenyl] 3-nitrobenzenesulfonate Openeye Name: [4-(hexylcarbamoyl)phenyl] 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid [4-[(hexylamino)-oxomethyl]phenyl] ester IUPAC Name: [4-(hexylcarbamoyl)phenyl] 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid [4-(hexylcarbamoyl)phenyl] ester Formula: C19H22N2O6S MolecularWeight: 406.45278

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N2O6S/c1-2-3-4-5-13-20-19(22)15-9-11-17(12-10-15)27-28(25,26)18-8-6-7-16(14-18)21(23)24/h6-12,14H,2-5,13H2,1H3,(H,20,22)