N-(2-bromanyl-4-fluoranyl-phenyl)-4-methoxy-3-(4-methylpiperazin-1-yl)benzenesulfonamide

Systemtic Name: N-(2-bromanyl-4-fluoranyl-phenyl)-4-methoxy-3-(4-methylpiperazin-1-yl)benzenesulfonamide Openeye Name: N-(2-bromo-4-fluoro-phenyl)-4-methoxy-3-(4-methylpiperazin-1-yl)benzenesulfonamide CAS Name: N-(2-bromo-4-fluorophenyl)-4-methoxy-3-(4-methyl-1-piperazinyl)benzenesulfonamide IUPAC Name: N-(2-bromo-4-fluorophenyl)-4-methoxy-3-(4-methylpiperazin-1-yl)benzenesulfonamide Traditional Name: N-(2-bromo-4-fluoro-phenyl)-4-methoxy-3-(4-methylpiperazino)benzenesulfonamide Formula: C18H21BrFN3O3S MolecularWeight: 458.345043

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C=CC(=C2)S(=O)(=O)NC3=C(C=C(C=C3)F)Br)OC

Isomeric SMILES

CN1CCN(CC1)C2=C(C=CC(=C2)S(=O)(=O)NC3=C(C=C(C=C3)F)Br)OC

InChI

InChI=1S/C18H21BrFN3O3S/c1-22-7-9-23(10-8-22)17-12-14(4-6-18(17)26-2)27(24,25)21-16-5-3-13(20)11-15(16)19/h3-6,11-12,21H,7-10H2,1-2H3