[4-(3-butoxypropylcarbamoyl)phenyl] 3-nitrobenzenesulfonate

Systemtic Name: [4-(3-butoxypropylcarbamoyl)phenyl] 3-nitrobenzenesulfonate Openeye Name: [4-(3-butoxypropylcarbamoyl)phenyl] 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid [4-[(3-butoxypropylamino)-oxomethyl]phenyl] ester IUPAC Name: [4-(3-butoxypropylcarbamoyl)phenyl] 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid [4-(3-butoxypropylcarbamoyl)phenyl] ester Formula: C20H24N2O7S MolecularWeight: 436.47876

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2O7S/c1-2-3-13-28-14-5-12-21-20(23)16-8-10-18(11-9-16)29-30(26,27)19-7-4-6-17(15-19)22(24)25/h4,6-11,15H,2-3,5,12-14H2,1H3,(H,21,23)