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

Systemtic Name: N-[4-[(4-chlorophenyl)sulfonylamino]phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-[4-[(4-chlorophenyl)sulfonylamino]phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-[4-[(4-chlorophenyl)sulfonylamino]phenyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-[4-[(4-chlorophenyl)sulfonylamino]phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-[4-[(4-chlorophenyl)sulfonylamino]phenyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide Formula: C21H19ClN2O6S2 MolecularWeight: 494.96836

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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)C4=CC=C(C=C4)Cl)OC1

Isomeric SMILES

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

InChI

InChI=1S/C21H19ClN2O6S2/c22-15-2-8-18(9-3-15)31(25,26)23-16-4-6-17(7-5-16)24-32(27,28)19-10-11-20-21(14-19)30-13-1-12-29-20/h2-11,14,23-24H,1,12-13H2