N-[4-(1H-benzimidazol-2-ylsulfanyl)phenyl]-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)benzamide

Systemtic Name: N-[4-(1H-benzimidazol-2-ylsulfanyl)phenyl]-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)benzamide Openeye Name: N-[4-(1H-benzimidazol-2-ylsulfanyl)phenyl]-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)benzamide CAS Name: N-[4-(1H-benzimidazol-2-ylthio)phenyl]-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)benzamide IUPAC Name: N-[4-(1H-benzimidazol-2-ylsulfanyl)phenyl]-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)benzamide Traditional Name: N-[4-(1H-benzimidazol-2-ylthio)phenyl]-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)benzamide Formula: C29H24N4O5S2 MolecularWeight: 572.65466

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)NC3=CC=CC(=C3)C(=O)NC4=CC=C(C=C4)SC5=NC6=CC=CC=C6N5)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)NC3=CC=CC(=C3)C(=O)NC4=CC=C(C=C4)SC5=NC6=CC=CC=C6N5)OC1

InChI

InChI=1S/C29H24N4O5S2/c34-28(30-20-9-11-22(12-10-20)39-29-31-24-7-1-2-8-25(24)32-29)19-5-3-6-21(17-19)33-40(35,36)23-13-14-26-27(18-23)38-16-4-15-37-26/h1-3,5-14,17-18,33H,4,15-16H2,(H,30,34)(H,31,32)