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

Systemtic Name: [2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]-methyl-[(2-methylphenyl)methyl]azanium Openeye Name: [2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxo-ethyl]-methyl-(o-tolylmethyl)ammonium CAS Name: [2-[4-(2-fluorophenyl)sulfonyl-1-piperazinyl]-2-oxoethyl]-methyl-[(2-methylphenyl)methyl]ammonium IUPAC Name: [2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-methyl-[(2-methylphenyl)methyl]azanium Traditional Name: [2-[4-(2-fluorophenyl)sulfonylpiperazino]-2-keto-ethyl]-methyl-(2-methylbenzyl)ammonium Formula: C21H27FN3O3S+ MolecularWeight: 420.520783

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+](C)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3F

Isomeric SMILES

CC1=CC=CC=C1C[NH+](C)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3F

InChI

InChI=1S/C21H26FN3O3S/c1-17-7-3-4-8-18(17)15-23(2)16-21(26)24-11-13-25(14-12-24)29(27,28)20-10-6-5-9-19(20)22/h3-10H,11-16H2,1-2H3/p+1