4-bromanyl-N-[(E)-[4-[(4-fluorophenyl)methoxy]-3-methoxy-phenyl]methylideneamino]benzenesulfonamide

Systemtic Name: 4-bromanyl-N-[(E)-[4-[(4-fluorophenyl)methoxy]-3-methoxy-phenyl]methylideneamino]benzenesulfonamide Openeye Name: 4-bromo-N-[(E)-[4-[(4-fluorophenyl)methoxy]-3-methoxy-phenyl]methyleneamino]benzenesulfonamide CAS Name: 4-bromo-N-[(E)-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]benzenesulfonamide IUPAC Name: 4-bromo-N-[(E)-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]benzenesulfonamide Traditional Name: 4-bromo-N-[(E)-[4-(4-fluorobenzyl)oxy-3-methoxy-benzylidene]amino]benzenesulfonamide Formula: C21H18BrFN2O4S MolecularWeight: 493.346023

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=NNS(=O)(=O)C2=CC=C(C=C2)Br)OCC3=CC=C(C=C3)F

Isomeric SMILES

COC1=C(C=CC(=C1)/C=N/NS(=O)(=O)C2=CC=C(C=C2)Br)OCC3=CC=C(C=C3)F

InChI

InChI=1S/C21H18BrFN2O4S/c1-28-21-12-16(4-11-20(21)29-14-15-2-7-18(23)8-3-15)13-24-25-30(26,27)19-9-5-17(22)6-10-19/h2-13,25H,14H2,1H3/b24-13+