N-[9-(3-methoxy-4-oxidanyl-phenyl)-6-oxidanylidene-5,11-dihydrobenzo[b][1,4]benzodiazepin-3-yl]methanesulfonamide

Systemtic Name: N-[9-(3-methoxy-4-oxidanyl-phenyl)-6-oxidanylidene-5,11-dihydrobenzo[b][1,4]benzodiazepin-3-yl]methanesulfonamide Openeye Name: N-[9-(4-hydroxy-3-methoxy-phenyl)-6-oxo-5,11-dihydrobenzo[b][1,4]benzodiazepin-3-yl]methanesulfonamide CAS Name: N-[9-(4-hydroxy-3-methoxyphenyl)-6-oxo-5,11-dihydrobenzo[b][1,4]benzodiazepin-3-yl]methanesulfonamide IUPAC Name: N-[9-(4-hydroxy-3-methoxyphenyl)-6-oxo-5,11-dihydrobenzo[b][1,4]benzodiazepin-3-yl]methanesulfonamide Traditional Name: N-[9-(4-hydroxy-3-methoxy-phenyl)-6-keto-5,11-dihydrobenzo[b][1,4]benzodiazepin-3-yl]methanesulfonamide Formula: C21H19N3O5S MolecularWeight: 425.45766

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2=CC3=C(C=C2)C(=O)NC4=C(N3)C=CC(=C4)NS(=O)(=O)C)O

Isomeric SMILES

COC1=C(C=CC(=C1)C2=CC3=C(C=C2)C(=O)NC4=C(N3)C=CC(=C4)NS(=O)(=O)C)O

InChI

InChI=1S/C21H19N3O5S/c1-29-20-10-13(4-8-19(20)25)12-3-6-15-17(9-12)22-16-7-5-14(24-30(2,27)28)11-18(16)23-21(15)26/h3-11,22,24-25H,1-2H3,(H,23,26)