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

Systemtic Name: 2-(benzimidazol-1-yl)-N-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)phenyl]propanamide Openeye Name: 2-(benzimidazol-1-yl)-N-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)phenyl]propanamide CAS Name: 2-(1-benzimidazolyl)-N-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)phenyl]propanamide IUPAC Name: 2-(benzimidazol-1-yl)-N-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)phenyl]propanamide Traditional Name: 2-(benzimidazol-1-yl)-N-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)phenyl]propionamide Formula: C25H24N4O5S MolecularWeight: 492.54686

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)OCCCO3)N4C=NC5=CC=CC=C54

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)OCCCO3)N4C=NC5=CC=CC=C54

InChI

InChI=1S/C25H24N4O5S/c1-17(29-16-26-21-5-2-3-6-22(21)29)25(30)27-18-7-9-19(10-8-18)28-35(31,32)20-11-12-23-24(15-20)34-14-4-13-33-23/h2-3,5-12,15-17,28H,4,13-14H2,1H3,(H,27,30)