N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2-methoxy-4-nitro-benzenesulfonamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2-methoxy-4-nitro-benzenesulfonamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2-methoxy-4-nitro-benzenesulfonamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2-methoxy-4-nitrobenzenesulfonamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2-methoxy-4-nitrobenzenesulfonamide Traditional Name: N-ethyl-2-methoxy-4-nitro-N-piperonyl-benzenesulfonamide Formula: C17H18N2O7S MolecularWeight: 394.39902

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N2O7S/c1-3-18(10-12-4-6-14-15(8-12)26-11-25-14)27(22,23)17-7-5-13(19(20)21)9-16(17)24-2/h4-9H,3,10-11H2,1-2H3