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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)NC2=CC=CC=C2N=CC3=C(C4=C(C=C3)OCO4)Br)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)NC2=CC=CC=C2N=CC3=C(C4=C(C=C3)OCO4)Br)[N+](=O)[O-]

InChI

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