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4-Chloro-2-{[3-(dimethylamino)propyl]amino}-5-sulfamoylbenzoic acid
SpectraBase Compound ID 7gIhd4YLYYz
InChI InChI=1S/C12H18ClN3O4S/c1-16(2)5-3-4-15-10-7-9(13)11(21(14,19)20)6-8(10)12(17)18/h6-7,15H,3-5H2,1-2H3,(H,17,18)(H2,14,19,20)
InChIKey ZDVCMGBZLDIKGL-UHFFFAOYSA-N
Mol Weight 335.81 g/mol
Molecular Formula C12H18ClN3O4S
Exact Mass 335.070655 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2RjmK9yd7Mh
Name 4-Chloro-2-{[3-(dimethylamino)propyl]amino}-5-sulfamoylbenzoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18ClN3O4S
InChI InChI=1S/C12H18ClN3O4S/c1-16(2)5-3-4-15-10-7-9(13)11(21(14,19)20)6-8(10)12(17)18/h6-7,15H,3-5H2,1-2H3,(H,17,18)(H2,14,19,20)
InChIKey ZDVCMGBZLDIKGL-UHFFFAOYSA-N
Molecular Weight 335.806 g/mol
SMILES N(c1cc(c(cc1C(=O)O)S(=O)(=O)N)Cl)CCCN(C)C
SPLASH splash10-0a4r-9210000000-5ef0f258a1e88830f0be
Source of Spectrum IY-2-5205-7
Synonyms 4-Chloro-2-[3-(dimethylamino)propylamino]-5-sulfamoylbenzoic acid 4-Chloranyl-2-[3-(dimethylamino)propylamino]-5-sulfamoyl-benzoic acid
Wiley ID 1660040