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Benzoic acid, 2-chloro-, 4-(1,2-benzisothiazol-3-ylmethylamino)phenyl ester, S,S-dioxide
SpectraBase Compound ID 2aghUGaDzG2
InChI InChI=1S/C21H15ClN2O4S/c1-24(20-17-7-3-5-9-19(17)29(26,27)23-20)14-10-12-15(13-11-14)28-21(25)16-6-2-4-8-18(16)22/h2-13H,1H3
InChIKey FJDSLUPZPZTKOD-UHFFFAOYSA-N
Mol Weight 426.87 g/mol
Molecular Formula C21H15ClN2O4S
Exact Mass 426.044106 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Bq5NLknJCbU
Name Benzoic acid, 2-chloro-, 4-(1,2-benzisothiazol-3-ylmethylamino)phenyl ester, S,S-dioxide
Alternate Name(s) 2-Chlorobenzoic acid [4-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]phenyl] ester [4-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]phenyl] 2-chlorobenzoate [4-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methyl-amino]phenyl] 2-chlorobenzoate [4-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-methyl-amino]phenyl] 2-chloranylbenzoate
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Formula C21H15ClN2O4S
InChI InChI=1S/C21H15ClN2O4S/c1-24(20-17-7-3-5-9-19(17)29(26,27)23-20)14-10-12-15(13-11-14)28-21(25)16-6-2-4-8-18(16)22/h2-13H,1H3
InChIKey FJDSLUPZPZTKOD-UHFFFAOYSA-N
Molecular Weight 426.874 g/mol
SMILES c1ccc(C(Oc2ccc(N(C3=NS(c4c3cccc4)(=O)=O)C)cc2)=O)c(Cl)c1
SPLASH splash10-000i-3900000000-fe91cf273fa2231b0537
Source of Spectrum IY-1-4662-8
Wiley ID 1654611