2,2-bis(fluoranyl)-N-(4-methoxy-3-piperazin-1-yl-phenyl)-1,3-benzodioxole-4-sulfonamide

Systemtic Name: 2,2-bis(fluoranyl)-N-(4-methoxy-3-piperazin-1-yl-phenyl)-1,3-benzodioxole-4-sulfonamide Openeye Name: 2,2-difluoro-N-(4-methoxy-3-piperazin-1-yl-phenyl)-1,3-benzodioxole-4-sulfonamide CAS Name: 2,2-difluoro-N-[4-methoxy-3-(1-piperazinyl)phenyl]-1,3-benzodioxole-4-sulfonamide IUPAC Name: 2,2-difluoro-N-(4-methoxy-3-piperazin-1-ylphenyl)-1,3-benzodioxole-4-sulfonamide Traditional Name: 2,2-difluoro-N-(4-methoxy-3-piperazino-phenyl)-1,3-benzodioxole-4-sulfonamide Formula: C18H19F2N3O5S MolecularWeight: 427.422366

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NS(=O)(=O)C2=CC=CC3=C2OC(O3)(F)F)N4CCNCC4

Isomeric SMILES

COC1=C(C=C(C=C1)NS(=O)(=O)C2=CC=CC3=C2OC(O3)(F)F)N4CCNCC4

InChI

InChI=1S/C18H19F2N3O5S/c1-26-14-6-5-12(11-13(14)23-9-7-21-8-10-23)22-29(24,25)16-4-2-3-15-17(16)28-18(19,20)27-15/h2-6,11,21-22H,7-10H2,1H3