N,N-diethyl-4-[(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]benzenesulfonamide

Systemtic Name: N,N-diethyl-4-[(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]benzenesulfonamide Openeye Name: N,N-diethyl-4-[(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]benzenesulfonamide CAS Name: N,N-diethyl-4-[(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]benzenesulfonamide IUPAC Name: N,N-diethyl-4-[(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]benzenesulfonamide Traditional Name: N,N-diethyl-4-[(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]benzenesulfonamide Formula: C18H19N3O6S MolecularWeight: 405.42496

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)N=CC2=CC3=C(C=C2[N+](=O)[O-])OCO3

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)N=CC2=CC3=C(C=C2[N+](=O)[O-])OCO3

InChI

InChI=1S/C18H19N3O6S/c1-3-20(4-2)28(24,25)15-7-5-14(6-8-15)19-11-13-9-17-18(27-12-26-17)10-16(13)21(22)23/h5-11H,3-4,12H2,1-2H3