4-[(E)-2-[[4-[(6-bromanylquinazolin-4-yl)amino]phenyl]methylsulfonyl]ethenyl]phenol

Systemtic Name: 4-[(E)-2-[[4-[(6-bromanylquinazolin-4-yl)amino]phenyl]methylsulfonyl]ethenyl]phenol Openeye Name: 4-[(E)-2-[[4-[(6-bromoquinazolin-4-yl)amino]phenyl]methylsulfonyl]vinyl]phenol CAS Name: 4-[(E)-2-[[4-[(6-bromo-4-quinazolinyl)amino]phenyl]methylsulfonyl]ethenyl]phenol IUPAC Name: 4-[(E)-2-[[4-[(6-bromoquinazolin-4-yl)amino]phenyl]methylsulfonyl]ethenyl]phenol Traditional Name: 4-[(E)-2-[4-[(6-bromoquinazolin-4-yl)amino]benzyl]sulfonylvinyl]phenol Formula: C23H18BrN3O3S MolecularWeight: 496.37632

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CS(=O)(=O)C=CC2=CC=C(C=C2)O)NC3=NC=NC4=C3C=C(C=C4)Br

Isomeric SMILES

C1=CC(=CC=C1CS(=O)(=O)/C=C/C2=CC=C(C=C2)O)NC3=NC=NC4=C3C=C(C=C4)Br

InChI

InChI=1S/C23H18BrN3O3S/c24-18-5-10-22-21(13-18)23(26-15-25-22)27-19-6-1-17(2-7-19)14-31(29,30)12-11-16-3-8-20(28)9-4-16/h1-13,15,28H,14H2,(H,25,26,27)/b12-11+