N-(1H-benzimidazol-2-yl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)ethanamide

Systemtic Name: N-(1H-benzimidazol-2-yl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)ethanamide Openeye Name: N-(1H-benzimidazol-2-yl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)acetamide CAS Name: N-(1H-benzimidazol-2-yl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)acetamide IUPAC Name: N-(1H-benzimidazol-2-yl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)acetamide Traditional Name: N-(1H-benzimidazol-2-yl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)acetamide Formula: C18H18N4O5S MolecularWeight: 402.42432

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)NCC(=O)NC3=NC4=CC=CC=C4N3)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)NCC(=O)NC3=NC4=CC=CC=C4N3)OC1

InChI

InChI=1S/C18H18N4O5S/c23-17(22-18-20-13-4-1-2-5-14(13)21-18)11-19-28(24,25)12-6-7-15-16(10-12)27-9-3-8-26-15/h1-2,4-7,10,19H,3,8-9,11H2,(H2,20,21,22,23)