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

Systemtic Name: [4-(3-methoxypropylcarbamoyl)phenyl] 3-nitrobenzenesulfonate Openeye Name: [4-(3-methoxypropylcarbamoyl)phenyl] 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid [4-[(3-methoxypropylamino)-oxomethyl]phenyl] ester IUPAC Name: [4-(3-methoxypropylcarbamoyl)phenyl] 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid [4-(3-methoxypropylcarbamoyl)phenyl] ester Formula: C17H18N2O7S MolecularWeight: 394.39902

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N2O7S/c1-25-11-3-10-18-17(20)13-6-8-15(9-7-13)26-27(23,24)16-5-2-4-14(12-16)19(21)22/h2,4-9,12H,3,10-11H2,1H3,(H,18,20)