[4-(dipropylcarbamoyl)phenyl] 3-nitrobenzenesulfonate

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N2O6S/c1-3-12-20(13-4-2)19(22)15-8-10-17(11-9-15)27-28(25,26)18-7-5-6-16(14-18)21(23)24/h5-11,14H,3-4,12-13H2,1-2H3