N-[3,5-bis(bromanyl)-2-chloranyl-phenyl]-4-methoxy-3-piperazin-1-yl-benzenesulfonamide

Systemtic Name: N-[3,5-bis(bromanyl)-2-chloranyl-phenyl]-4-methoxy-3-piperazin-1-yl-benzenesulfonamide Openeye Name: N-(3,5-dibromo-2-chloro-phenyl)-4-methoxy-3-piperazin-1-yl-benzenesulfonamide CAS Name: N-(3,5-dibromo-2-chlorophenyl)-4-methoxy-3-(1-piperazinyl)benzenesulfonamide IUPAC Name: N-(3,5-dibromo-2-chlorophenyl)-4-methoxy-3-piperazin-1-ylbenzenesulfonamide Traditional Name: N-(3,5-dibromo-2-chloro-phenyl)-4-methoxy-3-piperazino-benzenesulfonamide Formula: C17H18Br2ClN3O3S MolecularWeight: 539.66912

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)NC2=CC(=CC(=C2Cl)Br)Br)N3CCNCC3

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)NC2=CC(=CC(=C2Cl)Br)Br)N3CCNCC3

InChI

InChI=1S/C17H18Br2ClN3O3S/c1-26-16-3-2-12(10-15(16)23-6-4-21-5-7-23)27(24,25)22-14-9-11(18)8-13(19)17(14)20/h2-3,8-10,21-22H,4-7H2,1H3