N-[4-(benzimidazol-1-yl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide

Systemtic Name: N-[4-(benzimidazol-1-yl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-[4-(benzimidazol-1-yl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-[4-(1-benzimidazolyl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-[4-(benzimidazol-1-yl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-[4-(benzimidazol-1-yl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide Formula: C22H19N3O4S MolecularWeight: 421.46896

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)NC3=CC=C(C=C3)N4C=NC5=CC=CC=C54)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)NC3=CC=C(C=C3)N4C=NC5=CC=CC=C54)OC1

InChI

InChI=1S/C22H19N3O4S/c26-30(27,18-10-11-21-22(14-18)29-13-3-12-28-21)24-16-6-8-17(9-7-16)25-15-23-19-4-1-2-5-20(19)25/h1-2,4-11,14-15,24H,3,12-13H2