N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-8-nitro-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-8-nitro-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-8-nitro-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-8-nitro-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-8-nitro-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-methyl-8-nitro-N-piperonyl-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide Formula: C18H18N2O8S MolecularWeight: 422.40912

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC2=C(C=C1)OCO2)S(=O)(=O)C3=CC4=C(C=C3[N+](=O)[O-])OCCCO4

Isomeric SMILES

CN(CC1=CC2=C(C=C1)OCO2)S(=O)(=O)C3=CC4=C(C=C3[N+](=O)[O-])OCCCO4

InChI

InChI=1S/C18H18N2O8S/c1-19(10-12-3-4-14-15(7-12)28-11-27-14)29(23,24)18-9-17-16(8-13(18)20(21)22)25-5-2-6-26-17/h3-4,7-9H,2,5-6,10-11H2,1H3