cyclooctyl-[2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]azanium

Systemtic Name: cyclooctyl-[2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]azanium Openeye Name: cyclooctyl-[2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxo-ethyl]ammonium CAS Name: cyclooctyl-[2-[4-(2-fluorophenyl)sulfonyl-1-piperazinyl]-2-oxoethyl]ammonium IUPAC Name: cyclooctyl-[2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]azanium Traditional Name: cyclooctyl-[2-[4-(2-fluorophenyl)sulfonylpiperazino]-2-keto-ethyl]ammonium Formula: C20H31FN3O3S+ MolecularWeight: 412.541843

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)[NH2+]CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3F

Isomeric SMILES

C1CCCC(CCC1)[NH2+]CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3F

InChI

InChI=1S/C20H30FN3O3S/c21-18-10-6-7-11-19(18)28(26,27)24-14-12-23(13-15-24)20(25)16-22-17-8-4-2-1-3-5-9-17/h6-7,10-11,17,22H,1-5,8-9,12-16H2/p+1