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

Systemtic Name: [2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]-(phenylmethyl)-propyl-azanium Openeye Name: benzyl-[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxo-ethyl]-propyl-ammonium CAS Name: [2-[4-(4-fluorophenyl)sulfonyl-1-piperazinyl]-2-oxoethyl]-(phenylmethyl)-propylammonium IUPAC Name: benzyl-[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-propylazanium Traditional Name: benzyl-[2-[4-(4-fluorophenyl)sulfonylpiperazino]-2-keto-ethyl]-propyl-ammonium Formula: C22H29FN3O3S+ MolecularWeight: 434.547363

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28FN3O3S/c1-2-12-24(17-19-6-4-3-5-7-19)18-22(27)25-13-15-26(16-14-25)30(28,29)21-10-8-20(23)9-11-21/h3-11H,2,12-18H2,1H3/p+1