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

Systemtic Name: N-[2-[(6-bromanyl-1,3-benzodioxol-5-yl)methylideneamino]phenyl]-4-methyl-3-nitro-benzenesulfonamide Openeye Name: N-[2-[(6-bromo-1,3-benzodioxol-5-yl)methyleneamino]phenyl]-4-methyl-3-nitro-benzenesulfonamide CAS Name: N-[2-[(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]phenyl]-4-methyl-3-nitrobenzenesulfonamide IUPAC Name: N-[2-[(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]phenyl]-4-methyl-3-nitrobenzenesulfonamide Traditional Name: N-[2-[(6-bromo-1,3-benzodioxol-5-yl)methyleneamino]phenyl]-4-methyl-3-nitro-benzenesulfonamide Formula: C21H16BrN3O6S MolecularWeight: 518.33724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=CC=C2N=CC3=CC4=C(C=C3Br)OCO4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=CC=C2N=CC3=CC4=C(C=C3Br)OCO4)[N+](=O)[O-]

InChI

InChI=1S/C21H16BrN3O6S/c1-13-6-7-15(9-19(13)25(26)27)32(28,29)24-18-5-3-2-4-17(18)23-11-14-8-20-21(10-16(14)22)31-12-30-20/h2-11,24H,12H2,1H3