N-[(E)-(3-bromanyl-5-methoxy-4-propoxy-phenyl)methylideneamino]-4-methyl-3-nitro-benzenesulfonamide

Systemtic Name: N-[(E)-(3-bromanyl-5-methoxy-4-propoxy-phenyl)methylideneamino]-4-methyl-3-nitro-benzenesulfonamide Openeye Name: N-[(E)-(3-bromo-5-methoxy-4-propoxy-phenyl)methyleneamino]-4-methyl-3-nitro-benzenesulfonamide CAS Name: N-[(E)-(3-bromo-5-methoxy-4-propoxyphenyl)methylideneamino]-4-methyl-3-nitrobenzenesulfonamide IUPAC Name: N-[(E)-(3-bromo-5-methoxy-4-propoxyphenyl)methylideneamino]-4-methyl-3-nitrobenzenesulfonamide Traditional Name: N-[(E)-(3-bromo-5-methoxy-4-propoxy-benzylidene)amino]-4-methyl-3-nitro-benzenesulfonamide Formula: C18H20BrN3O6S MolecularWeight: 486.3369

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Br)C=NNS(=O)(=O)C2=CC(=C(C=C2)C)[N+](=O)[O-])OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Br)/C=N/NS(=O)(=O)C2=CC(=C(C=C2)C)[N+](=O)[O-])OC

InChI

InChI=1S/C18H20BrN3O6S/c1-4-7-28-18-15(19)8-13(9-17(18)27-3)11-20-21-29(25,26)14-6-5-12(2)16(10-14)22(23)24/h5-6,8-11,21H,4,7H2,1-3H3/b20-11+