4-bromanyl-N-[(E)-[4-methoxy-3-[(2-nitrophenoxy)methyl]phenyl]methylideneamino]benzenesulfonamide

Systemtic Name: 4-bromanyl-N-[(E)-[4-methoxy-3-[(2-nitrophenoxy)methyl]phenyl]methylideneamino]benzenesulfonamide Openeye Name: 4-bromo-N-[(E)-[4-methoxy-3-[(2-nitrophenoxy)methyl]phenyl]methyleneamino]benzenesulfonamide CAS Name: 4-bromo-N-[(E)-[4-methoxy-3-[(2-nitrophenoxy)methyl]phenyl]methylideneamino]benzenesulfonamide IUPAC Name: 4-bromo-N-[(E)-[4-methoxy-3-[(2-nitrophenoxy)methyl]phenyl]methylideneamino]benzenesulfonamide Traditional Name: 4-bromo-N-[(E)-[4-methoxy-3-[(2-nitrophenoxy)methyl]benzylidene]amino]benzenesulfonamide Formula: C21H18BrN3O6S MolecularWeight: 520.35312

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=NNS(=O)(=O)C2=CC=C(C=C2)Br)COC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)/C=N/NS(=O)(=O)C2=CC=C(C=C2)Br)COC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C21H18BrN3O6S/c1-30-20-11-6-15(13-23-24-32(28,29)18-9-7-17(22)8-10-18)12-16(20)14-31-21-5-3-2-4-19(21)25(26)27/h2-13,24H,14H2,1H3/b23-13+