4-(5-chloranyl-2-oxidanylidene-1,3-benzothiazol-3-yl)-2-ethanoyl-piperazine-1-sulfonic acid

Systemtic Name: 4-(5-chloranyl-2-oxidanylidene-1,3-benzothiazol-3-yl)-2-ethanoyl-piperazine-1-sulfonic acid Openeye Name: 2-acetyl-4-(5-chloro-2-oxo-1,3-benzothiazol-3-yl)piperazine-1-sulfonic acid CAS Name: 2-acetyl-4-(5-chloro-2-oxo-1,3-benzothiazol-3-yl)-1-piperazinesulfonic acid IUPAC Name: 2-acetyl-4-(5-chloro-2-oxo-1,3-benzothiazol-3-yl)piperazine-1-sulfonic acid Traditional Name: 2-acetyl-4-(5-chloro-2-keto-1,3-benzothiazol-3-yl)piperazine-1-sulfonic acid Formula: C13H14ClN3O5S2 MolecularWeight: 391.85036

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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

Isomeric SMILES

CC(=O)C1CN(CCN1S(=O)(=O)O)N2C3=C(C=CC(=C3)Cl)SC2=O

InChI

InChI=1S/C13H14ClN3O5S2/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)