N-[2-[(6-bromanyl-1,3-benzodioxol-5-yl)methylideneamino]ethyl]-4-methyl-3-nitro-benzenesulfonamide

Systemtic Name: N-[2-[(6-bromanyl-1,3-benzodioxol-5-yl)methylideneamino]ethyl]-4-methyl-3-nitro-benzenesulfonamide Openeye Name: N-[2-[(6-bromo-1,3-benzodioxol-5-yl)methyleneamino]ethyl]-4-methyl-3-nitro-benzenesulfonamide CAS Name: N-[2-[(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]ethyl]-4-methyl-3-nitrobenzenesulfonamide IUPAC Name: N-[2-[(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]ethyl]-4-methyl-3-nitrobenzenesulfonamide Traditional Name: N-[2-[(6-bromo-1,3-benzodioxol-5-yl)methyleneamino]ethyl]-4-methyl-3-nitro-benzenesulfonamide Formula: C17H16BrN3O6S MolecularWeight: 470.29444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NCCN=CC2=CC3=C(C=C2Br)OCO3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NCCN=CC2=CC3=C(C=C2Br)OCO3)[N+](=O)[O-]

InChI

InChI=1S/C17H16BrN3O6S/c1-11-2-3-13(7-15(11)21(22)23)28(24,25)20-5-4-19-9-12-6-16-17(8-14(12)18)27-10-26-16/h2-3,6-9,20H,4-5,10H2,1H3