N-(1,3-benzodioxol-5-yl)-N-(2-methoxyethyl)-2,4-dinitro-benzenesulfonamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-N-(2-methoxyethyl)-2,4-dinitro-benzenesulfonamide Openeye Name: N-(1,3-benzodioxol-5-yl)-N-(2-methoxyethyl)-2,4-dinitro-benzenesulfonamide CAS Name: N-(1,3-benzodioxol-5-yl)-N-(2-methoxyethyl)-2,4-dinitrobenzenesulfonamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-N-(2-methoxyethyl)-2,4-dinitrobenzenesulfonamide Traditional Name: N-(1,3-benzodioxol-5-yl)-N-(2-methoxyethyl)-2,4-dinitro-benzenesulfonamide Formula: C16H15N3O9S MolecularWeight: 425.37

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Descriptors Computed from Structure

Canonical SMILES:

COCCN(C1=CC2=C(C=C1)OCO2)S(=O)(=O)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COCCN(C1=CC2=C(C=C1)OCO2)S(=O)(=O)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H15N3O9S/c1-26-7-6-17(11-2-4-14-15(9-11)28-10-27-14)29(24,25)16-5-3-12(18(20)21)8-13(16)19(22)23/h2-5,8-9H,6-7,10H2,1H3