N-(3-fluoranyl-5-pyridin-3-yl-phenyl)-4-methoxy-3-piperazin-1-yl-benzenesulfonamide

Systemtic Name: N-(3-fluoranyl-5-pyridin-3-yl-phenyl)-4-methoxy-3-piperazin-1-yl-benzenesulfonamide Openeye Name: N-[3-fluoro-5-(3-pyridyl)phenyl]-4-methoxy-3-piperazin-1-yl-benzenesulfonamide CAS Name: N-[3-fluoro-5-(3-pyridinyl)phenyl]-4-methoxy-3-(1-piperazinyl)benzenesulfonamide IUPAC Name: N-(3-fluoro-5-pyridin-3-ylphenyl)-4-methoxy-3-piperazin-1-ylbenzenesulfonamide Traditional Name: N-[3-fluoro-5-(3-pyridyl)phenyl]-4-methoxy-3-piperazino-benzenesulfonamide Formula: C22H23FN4O3S MolecularWeight: 442.506423

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)NC2=CC(=CC(=C2)C3=CN=CC=C3)F)N4CCNCC4

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)NC2=CC(=CC(=C2)C3=CN=CC=C3)F)N4CCNCC4

InChI

InChI=1S/C22H23FN4O3S/c1-30-22-5-4-20(14-21(22)27-9-7-24-8-10-27)31(28,29)26-19-12-17(11-18(23)13-19)16-3-2-6-25-15-16/h2-6,11-15,24,26H,7-10H2,1H3