N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-4-methyl-3-nitro-benzenesulfonamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-4-methyl-3-nitro-benzenesulfonamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-4-methyl-3-nitro-benzenesulfonamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-4-methyl-3-nitrobenzenesulfonamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-4-methyl-3-nitrobenzenesulfonamide Traditional Name: N-ethyl-4-methyl-3-nitro-N-piperonyl-benzenesulfonamide Formula: C17H18N2O6S MolecularWeight: 378.39962

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC2=C(C=C1)OCO2)S(=O)(=O)C3=CC(=C(C=C3)C)[N+](=O)[O-]

Isomeric SMILES

CCN(CC1=CC2=C(C=C1)OCO2)S(=O)(=O)C3=CC(=C(C=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C17H18N2O6S/c1-3-18(10-13-5-7-16-17(8-13)25-11-24-16)26(22,23)14-6-4-12(2)15(9-14)19(20)21/h4-9H,3,10-11H2,1-2H3