4-ethoxy-3-(pyridin-4-ylcarbamoylamino)benzenesulfonyl chloride; sulfuric acid

Systemtic Name: 4-ethoxy-3-(pyridin-4-ylcarbamoylamino)benzenesulfonyl chloride; sulfuric acid Openeye Name: 4-ethoxy-3-(4-pyridylcarbamoylamino)benzenesulfonyl chloride; sulfuric acid CAS Name: 4-ethoxy-3-[[oxo-(pyridin-4-ylamino)methyl]amino]benzenesulfonyl chloride; sulfuric acid IUPAC Name: 4-ethoxy-3-(pyridin-4-ylcarbamoylamino)benzenesulfonyl chloride; sulfuric acid Traditional Name: 4-ethoxy-3-(4-pyridylcarbamoylamino)benzenesulfonyl chloride; sulfuric acid Formula: C14H16ClN3O8S2 MolecularWeight: 453.87514

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)S(=O)(=O)Cl)NC(=O)NC2=CC=NC=C2.OS(=O)(=O)O

Isomeric SMILES

CCOC1=C(C=C(C=C1)S(=O)(=O)Cl)NC(=O)NC2=CC=NC=C2.OS(=O)(=O)O

InChI

InChI=1S/C14H14ClN3O4S.H2O4S/c1-2-22-13-4-3-11(23(15,20)21)9-12(13)18-14(19)17-10-5-7-16-8-6-10;1-5(2,3)4/h3-9H,2H2,1H3,(H2,16,17,18,19);(H2,1,2,3,4)