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4-{[(3,4-dichloroanilino)carbonyl]amino}-N-(1,3-thiazol-2-yl)benzenesulfonamide
SpectraBase Compound ID 8HahvDAqe6g
InChI InChI=1S/C16H12Cl2N4O3S2/c17-13-6-3-11(9-14(13)18)21-15(23)20-10-1-4-12(5-2-10)27(24,25)22-16-19-7-8-26-16/h1-9H,(H,19,22)(H2,20,21,23)
InChIKey NZCQERKYAHIUJW-UHFFFAOYSA-N
Mol Weight 443.32 g/mol
Molecular Formula C16H12Cl2N4O3S2
Exact Mass 441.972788 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JQMkp9KvILG
Name 4-{[(3,4-dichloroanilino)carbonyl]amino}-N-(1,3-thiazol-2-yl)benzenesulfonamide
Comments Computed using HOSE algorithm
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Exact Mass 441.972788007 u
Formula C16H12Cl2N4O3S2
InChI InChI=1S/C16H12Cl2N4O3S2/c17-13-6-3-11(9-14(13)18)21-15(23)20-10-1-4-12(5-2-10)27(24,25)22-16-19-7-8-26-16/h1-9H,(H,19,22)(H2,20,21,23)
InChIKey NZCQERKYAHIUJW-UHFFFAOYSA-N
Molecular Weight 443.323 g/mol
SMILES N(C(NC=1C=C(Cl)C(=CC1)Cl)=O)C1=CC=C(S(NC2=NC=CS2)(=O)=O)C=C1