4-(5-acetamido-3-oxidanylidene-1H-pyrazol-2-yl)-2,5-bis(chloranyl)benzenesulfonic acid

Systemtic Name: 4-(5-acetamido-3-oxidanylidene-1H-pyrazol-2-yl)-2,5-bis(chloranyl)benzenesulfonic acid Openeye Name: 4-(5-acetamido-3-oxo-1H-pyrazol-2-yl)-2,5-dichloro-benzenesulfonic acid CAS Name: 4-(5-acetamido-3-oxo-1H-pyrazol-2-yl)-2,5-dichlorobenzenesulfonic acid IUPAC Name: 4-(5-acetamido-3-oxo-1H-pyrazol-2-yl)-2,5-dichlorobenzenesulfonic acid Traditional Name: 4-(3-acetamido-5-keto-3-pyrazolin-1-yl)-2,5-dichloro-besylic acid Formula: C11H9Cl2N3O5S MolecularWeight: 366.17726

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=O)N(N1)C2=CC(=C(C=C2Cl)S(=O)(=O)O)Cl

Isomeric SMILES

CC(=O)NC1=CC(=O)N(N1)C2=CC(=C(C=C2Cl)S(=O)(=O)O)Cl

InChI

InChI=1S/C11H9Cl2N3O5S/c1-5(17)14-10-4-11(18)16(15-10)8-2-7(13)9(3-6(8)12)22(19,20)21/h2-4,15H,1H3,(H,14,17)(H,19,20,21)