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

Systemtic Name: [2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]-(furan-2-ylmethyl)-methyl-azanium Openeye Name: [2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxo-ethyl]-(2-furylmethyl)-methyl-ammonium CAS Name: [2-[4-(4-fluorophenyl)sulfonyl-1-piperazinyl]-2-oxoethyl]-(2-furanylmethyl)-methylammonium IUPAC Name: [2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-(furan-2-ylmethyl)-methylazanium Traditional Name: [2-[4-(4-fluorophenyl)sulfonylpiperazino]-2-keto-ethyl]-(2-furfuryl)-methyl-ammonium Formula: C18H23FN3O4S+ MolecularWeight: 396.456323

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CO1)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

C[NH+](CC1=CC=CO1)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C18H22FN3O4S/c1-20(13-16-3-2-12-26-16)14-18(23)21-8-10-22(11-9-21)27(24,25)17-6-4-15(19)5-7-17/h2-7,12H,8-11,13-14H2,1H3/p+1