potassium 4-(5-chloranyl-2-oxidanylidene-1,3-benzothiazol-3-yl)-2-ethanoyl-piperazine-1-sulfonate

Systemtic Name: potassium 4-(5-chloranyl-2-oxidanylidene-1,3-benzothiazol-3-yl)-2-ethanoyl-piperazine-1-sulfonate Openeye Name: potassium 2-acetyl-4-(5-chloro-2-oxo-1,3-benzothiazol-3-yl)piperazine-1-sulfonate CAS Name: potassium 2-acetyl-4-(5-chloro-2-oxo-1,3-benzothiazol-3-yl)-1-piperazinesulfonate IUPAC Name: potassium 2-acetyl-4-(5-chloro-2-oxo-1,3-benzothiazol-3-yl)piperazine-1-sulfonate Traditional Name: potassium 2-acetyl-4-(5-chloro-2-keto-1,3-benzothiazol-3-yl)piperazine-1-sulfonate Formula: C13H13ClKN3O5S2 MolecularWeight: 429.94072

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1CN(CCN1S(=O)(=O)[O-])N2C3=C(C=CC(=C3)Cl)SC2=O.[K+]

Isomeric SMILES

CC(=O)C1CN(CCN1S(=O)(=O)[O-])N2C3=C(C=CC(=C3)Cl)SC2=O.[K+]

InChI

InChI=1S/C13H14ClN3O5S2.K/c1-8(18)11-7-15(4-5-16(11)24(20,21)22)17-10-6-9(14)2-3-12(10)23-13(17)19;/h2-3,6,11H,4-5,7H2,1H3,(H,20,21,22);/q;+1/p-1