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

Systemtic Name: N-[4-(benzamidocarbamoyl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-[4-(benzamidocarbamoyl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-[4-[(benzoylhydrazo)-oxomethyl]phenyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-[4-(benzamidocarbamoyl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-[4-(benzamidocarbamoyl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide Formula: C23H21N3O6S MolecularWeight: 467.49434

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)NC3=CC=C(C=C3)C(=O)NNC(=O)C4=CC=CC=C4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)NC3=CC=C(C=C3)C(=O)NNC(=O)C4=CC=CC=C4)OC1

InChI

InChI=1S/C23H21N3O6S/c27-22(16-5-2-1-3-6-16)24-25-23(28)17-7-9-18(10-8-17)26-33(29,30)19-11-12-20-21(15-19)32-14-4-13-31-20/h1-3,5-12,15,26H,4,13-14H2,(H,24,27)(H,25,28)