4-[5-(butylcarbamoyl)-3-oxidanylidene-1H-pyrazol-2-yl]benzenesulfonic acid

Systemtic Name: 4-[5-(butylcarbamoyl)-3-oxidanylidene-1H-pyrazol-2-yl]benzenesulfonic acid Openeye Name: 4-[5-(butylcarbamoyl)-3-oxo-1H-pyrazol-2-yl]benzenesulfonic acid CAS Name: 4-[5-[butylamino(oxo)methyl]-3-oxo-1H-pyrazol-2-yl]benzenesulfonic acid IUPAC Name: 4-[5-(butylcarbamoyl)-3-oxo-1H-pyrazol-2-yl]benzenesulfonic acid Traditional Name: 4-[3-(butylcarbamoyl)-5-keto-3-pyrazolin-1-yl]besylic acid Formula: C14H17N3O5S MolecularWeight: 339.36688

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=CC(=O)N(N1)C2=CC=C(C=C2)S(=O)(=O)O

Isomeric SMILES

CCCCNC(=O)C1=CC(=O)N(N1)C2=CC=C(C=C2)S(=O)(=O)O

InChI

InChI=1S/C14H17N3O5S/c1-2-3-8-15-14(19)12-9-13(18)17(16-12)10-4-6-11(7-5-10)23(20,21)22/h4-7,9,16H,2-3,8H2,1H3,(H,15,19)(H,20,21,22)