1-[4-[4-[2-(azepan-1-yl)-5-methylsulfonyl-phenyl]carbonylpiperazin-1-yl]-3-fluoranyl-phenyl]ethanone

Systemtic Name: 1-[4-[4-[2-(azepan-1-yl)-5-methylsulfonyl-phenyl]carbonylpiperazin-1-yl]-3-fluoranyl-phenyl]ethanone Openeye Name: 1-[4-[4-[2-(azepan-1-yl)-5-methylsulfonyl-benzoyl]piperazin-1-yl]-3-fluoro-phenyl]ethanone CAS Name: 1-[4-[4-[[2-(1-azepanyl)-5-methylsulfonylphenyl]-oxomethyl]-1-piperazinyl]-3-fluorophenyl]ethanone IUPAC Name: 1-[4-[4-[2-(azepan-1-yl)-5-methylsulfonylbenzoyl]piperazin-1-yl]-3-fluorophenyl]ethanone Traditional Name: 1-[4-[4-[2-(azepan-1-yl)-5-mesyl-benzoyl]piperazino]-3-fluoro-phenyl]ethanone Formula: C26H32FN3O4S MolecularWeight: 501.613383

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)S(=O)(=O)C)N4CCCCCC4)F

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)S(=O)(=O)C)N4CCCCCC4)F

InChI

InChI=1S/C26H32FN3O4S/c1-19(31)20-7-9-25(23(27)17-20)29-13-15-30(16-14-29)26(32)22-18-21(35(2,33)34)8-10-24(22)28-11-5-3-4-6-12-28/h7-10,17-18H,3-6,11-16H2,1-2H3