1-(azepan-1-yl)-2-[4-(4-fluoranyl-2-methyl-phenyl)sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 1-(azepan-1-yl)-2-[4-(4-fluoranyl-2-methyl-phenyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 1-(azepan-1-yl)-2-[4-(4-fluoro-2-methyl-phenyl)sulfonylpiperazin-1-yl]ethanone CAS Name: 1-(1-azepanyl)-2-[4-(4-fluoro-2-methylphenyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[4-(4-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]ethanone Traditional Name: 1-(azepan-1-yl)-2-[4-(4-fluoro-2-methyl-phenyl)sulfonylpiperazino]ethanone Formula: C19H28FN3O3S MolecularWeight: 397.507323

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)F)S(=O)(=O)N2CCN(CC2)CC(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=CC(=C1)F)S(=O)(=O)N2CCN(CC2)CC(=O)N3CCCCCC3

InChI

InChI=1S/C19H28FN3O3S/c1-16-14-17(20)6-7-18(16)27(25,26)23-12-10-21(11-13-23)15-19(24)22-8-4-2-3-5-9-22/h6-7,14H,2-5,8-13,15H2,1H3