N-[5-(azepan-1-ylcarbonyl)-2-piperazin-1-yl-phenyl]-4-fluoranyl-benzenesulfonamide

Systemtic Name: N-[5-(azepan-1-ylcarbonyl)-2-piperazin-1-yl-phenyl]-4-fluoranyl-benzenesulfonamide Openeye Name: N-[5-(azepane-1-carbonyl)-2-piperazin-1-yl-phenyl]-4-fluoro-benzenesulfonamide CAS Name: N-[5-[1-azepanyl(oxo)methyl]-2-(1-piperazinyl)phenyl]-4-fluorobenzenesulfonamide IUPAC Name: N-[5-(azepane-1-carbonyl)-2-piperazin-1-ylphenyl]-4-fluorobenzenesulfonamide Traditional Name: N-[5-(azepane-1-carbonyl)-2-piperazino-phenyl]-4-fluoro-benzenesulfonamide Formula: C23H29FN4O3S MolecularWeight: 460.564763

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=CC(=C(C=C2)N3CCNCC3)NS(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=CC(=C(C=C2)N3CCNCC3)NS(=O)(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C23H29FN4O3S/c24-19-6-8-20(9-7-19)32(30,31)26-21-17-18(23(29)28-13-3-1-2-4-14-28)5-10-22(21)27-15-11-25-12-16-27/h5-10,17,25-26H,1-4,11-16H2