2-(3-butoxypropylcarbamoyl)-5-[(3-nitrophenyl)sulfonylamino]phenolate

Systemtic Name: 2-(3-butoxypropylcarbamoyl)-5-[(3-nitrophenyl)sulfonylamino]phenolate Openeye Name: 2-(3-butoxypropylcarbamoyl)-5-[(3-nitrophenyl)sulfonylamino]phenolate CAS Name: 2-[(3-butoxypropylamino)-oxomethyl]-5-[(3-nitrophenyl)sulfonylamino]phenolate IUPAC Name: 2-(3-butoxypropylcarbamoyl)-5-[(3-nitrophenyl)sulfonylamino]phenolate Traditional Name: 2-(3-butoxypropylcarbamoyl)-5-[(3-nitrophenyl)sulfonylamino]phenolate Formula: C20H24N3O7S- MolecularWeight: 450.48546

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O7S/c1-2-3-11-30-12-5-10-21-20(25)18-9-8-15(13-19(18)24)22-31(28,29)17-7-4-6-16(14-17)23(26)27/h4,6-9,13-14,22,24H,2-3,5,10-12H2,1H3,(H,21,25)/p-1