N-(2,4-dimorpholin-4-ylphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide

Systemtic Name: N-(2,4-dimorpholin-4-ylphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-(2,4-dimorpholinophenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-[2,4-bis(4-morpholinyl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-(2,4-dimorpholin-4-ylphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-(2,4-dimorpholinophenyl)-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide Formula: C23H29N3O6S MolecularWeight: 475.55786

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)NC3=C(C=C(C=C3)N4CCOCC4)N5CCOCC5)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)NC3=C(C=C(C=C3)N4CCOCC4)N5CCOCC5)OC1

InChI

InChI=1S/C23H29N3O6S/c27-33(28,19-3-5-22-23(17-19)32-11-1-10-31-22)24-20-4-2-18(25-6-12-29-13-7-25)16-21(20)26-8-14-30-15-9-26/h2-5,16-17,24H,1,6-15H2