dimethyl-[[2-[[(8-nitro-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)sulfonylamino]methyl]phenyl]methyl]azanium

Systemtic Name: dimethyl-[[2-[[(8-nitro-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)sulfonylamino]methyl]phenyl]methyl]azanium Openeye Name: dimethyl-[[2-[[(8-nitro-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)sulfonylamino]methyl]phenyl]methyl]ammonium CAS Name: dimethyl-[[2-[[(8-nitro-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)sulfonylamino]methyl]phenyl]methyl]ammonium IUPAC Name: dimethyl-[[2-[[(8-nitro-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)sulfonylamino]methyl]phenyl]methyl]azanium Traditional Name: dimethyl-[2-[[(8-nitro-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)sulfonylamino]methyl]benzyl]ammonium Formula: C19H24N3O6S+ MolecularWeight: 422.47536

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC1=CC=CC=C1CNS(=O)(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCCCO3

Isomeric SMILES

C[NH+](C)CC1=CC=CC=C1CNS(=O)(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCCCO3

InChI

InChI=1S/C19H23N3O6S/c1-21(2)13-15-7-4-3-6-14(15)12-20-29(25,26)19-11-18-17(10-16(19)22(23)24)27-8-5-9-28-18/h3-4,6-7,10-11,20H,5,8-9,12-13H2,1-2H3/p+1