ethyl-[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]-(phenylmethyl)azanium

Systemtic Name: ethyl-[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]-(phenylmethyl)azanium Openeye Name: benzyl-ethyl-[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxo-ethyl]ammonium CAS Name: ethyl-[2-[4-(3-fluorophenyl)sulfonyl-1-piperazinyl]-2-oxoethyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-ethyl-[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]azanium Traditional Name: benzyl-ethyl-[2-[4-(3-fluorophenyl)sulfonylpiperazino]-2-keto-ethyl]ammonium Formula: C21H27FN3O3S+ MolecularWeight: 420.520783

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=CC=C1)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)F

Isomeric SMILES

CC[NH+](CC1=CC=CC=C1)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)F

InChI

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