3-chloranyl-5-[4-(2-pyridin-4-ylethynyl)phenyl]sulfonyl-6H-benzo[b][1,4]benzoxazepine

Systemtic Name: 3-chloranyl-5-[4-(2-pyridin-4-ylethynyl)phenyl]sulfonyl-6H-benzo[b][1,4]benzoxazepine Openeye Name: 3-chloro-5-[4-[2-(4-pyridyl)ethynyl]phenyl]sulfonyl-6H-benzo[b][1,4]benzoxazepine CAS Name: 3-chloro-5-[4-(2-pyridin-4-ylethynyl)phenyl]sulfonyl-6H-benzo[b][1,4]benzoxazepine IUPAC Name: 3-chloro-5-[4-(2-pyridin-4-ylethynyl)phenyl]sulfonyl-6H-benzo[b][1,4]benzoxazepine Traditional Name: 3-chloro-5-[4-[2-(4-pyridyl)ethynyl]phenyl]sulfonyl-6H-benzo[b][1,4]benzoxazepine Formula: C26H17ClN2O3S MolecularWeight: 472.94278

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2OC3=C(N1S(=O)(=O)C4=CC=C(C=C4)C#CC5=CC=NC=C5)C=C(C=C3)Cl

Isomeric SMILES

C1C2=CC=CC=C2OC3=C(N1S(=O)(=O)C4=CC=C(C=C4)C#CC5=CC=NC=C5)C=C(C=C3)Cl

InChI

InChI=1S/C26H17ClN2O3S/c27-22-9-12-26-24(17-22)29(18-21-3-1-2-4-25(21)32-26)33(30,31)23-10-7-19(8-11-23)5-6-20-13-15-28-16-14-20/h1-4,7-17H,18H2