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Benzoic acid, 4-[[[4-[(4-fluorophenyl)sulfonyl]-1-piperazinyl]acetyl]amino]-, methyl ester

View entire compound with spectra: 2 NMR

Benzoic acid, 4-[[[4-[(4-fluorophenyl)sulfonyl]-1-piperazinyl]acetyl]amino]-, methyl ester
SpectraBase Compound ID ArXFcuc7R2l
InChI InChI=1S/C20H22FN3O5S/c1-29-20(26)15-2-6-17(7-3-15)22-19(25)14-23-10-12-24(13-11-23)30(27,28)18-8-4-16(21)5-9-18/h2-9H,10-14H2,1H3,(H,22,25)
InChIKey SIBGVGLWNPRPPJ-UHFFFAOYSA-N
Mol Weight 435.47 g/mol
Molecular Formula C20H22FN3O5S
Exact Mass 435.12642 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IbolnVo3Wmt
Name Benzoic acid, 4-[[[4-[(4-fluorophenyl)sulfonyl]-1-piperazinyl]acetyl]amino]-, methyl ester
Comments Computed using HOSE algorithm
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Exact Mass 435.126420152 u
Formula C20H22FN3O5S
InChI InChI=1S/C20H22FN3O5S/c1-29-20(26)15-2-6-17(7-3-15)22-19(25)14-23-10-12-24(13-11-23)30(27,28)18-8-4-16(21)5-9-18/h2-9H,10-14H2,1H3,(H,22,25)
InChIKey SIBGVGLWNPRPPJ-UHFFFAOYSA-N
Molecular Weight 435.470 g/mol
SMILES N(C(CN1CCN(S(C=2C=CC(=CC2)F)(=O)=O)CC1)=O)C=1C=CC(C(=O)OC)=CC1