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

Systemtic Name: N-[4-[(2-cyanophenyl)methylsulfonylamino]phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-[4-[(2-cyanophenyl)methylsulfonylamino]phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-[4-[(2-cyanophenyl)methylsulfonylamino]phenyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-[4-[(2-cyanophenyl)methylsulfonylamino]phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-[4-[(2-cyanobenzyl)sulfonylamino]phenyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide Formula: C23H21N3O6S2 MolecularWeight: 499.55934

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)NC3=CC=C(C=C3)NS(=O)(=O)CC4=CC=CC=C4C#N)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)NC3=CC=C(C=C3)NS(=O)(=O)CC4=CC=CC=C4C#N)OC1

InChI

InChI=1S/C23H21N3O6S2/c24-15-17-4-1-2-5-18(17)16-33(27,28)25-19-6-8-20(9-7-19)26-34(29,30)21-10-11-22-23(14-21)32-13-3-12-31-22/h1-2,4-11,14,25-26H,3,12-13,16H2