4-(1,3-benzodioxol-5-ylmethoxy)-N,N-diethyl-3-nitro-benzenesulfonamide

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethoxy)-N,N-diethyl-3-nitro-benzenesulfonamide Openeye Name: 4-(1,3-benzodioxol-5-ylmethoxy)-N,N-diethyl-3-nitro-benzenesulfonamide CAS Name: 4-(1,3-benzodioxol-5-ylmethoxy)-N,N-diethyl-3-nitrobenzenesulfonamide IUPAC Name: 4-(1,3-benzodioxol-5-ylmethoxy)-N,N-diethyl-3-nitrobenzenesulfonamide Traditional Name: N,N-diethyl-3-nitro-4-piperonyloxy-benzenesulfonamide Formula: C18H20N2O7S MolecularWeight: 408.4256

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)OCC2=CC3=C(C=C2)OCO3)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)OCC2=CC3=C(C=C2)OCO3)[N+](=O)[O-]

InChI

InChI=1S/C18H20N2O7S/c1-3-19(4-2)28(23,24)14-6-8-16(15(10-14)20(21)22)25-11-13-5-7-17-18(9-13)27-12-26-17/h5-10H,3-4,11-12H2,1-2H3