N-[4-bromanyl-2,6-bis(fluoranyl)phenyl]-4-methoxy-3-piperazin-1-yl-benzenesulfonamide

Systemtic Name: N-[4-bromanyl-2,6-bis(fluoranyl)phenyl]-4-methoxy-3-piperazin-1-yl-benzenesulfonamide Openeye Name: N-(4-bromo-2,6-difluoro-phenyl)-4-methoxy-3-piperazin-1-yl-benzenesulfonamide CAS Name: N-(4-bromo-2,6-difluorophenyl)-4-methoxy-3-(1-piperazinyl)benzenesulfonamide IUPAC Name: N-(4-bromo-2,6-difluorophenyl)-4-methoxy-3-piperazin-1-ylbenzenesulfonamide Traditional Name: N-(4-bromo-2,6-difluoro-phenyl)-4-methoxy-3-piperazino-benzenesulfonamide Formula: C17H18BrF2N3O3S MolecularWeight: 462.308926

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)NC2=C(C=C(C=C2F)Br)F)N3CCNCC3

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)NC2=C(C=C(C=C2F)Br)F)N3CCNCC3

InChI

InChI=1S/C17H18BrF2N3O3S/c1-26-16-3-2-12(10-15(16)23-6-4-21-5-7-23)27(24,25)22-17-13(19)8-11(18)9-14(17)20/h2-3,8-10,21-22H,4-7H2,1H3