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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CN2C3=C(C=CC(=C3)Cl)SC2=O)S(=O)(=O)O

Isomeric SMILES

C1CN(CCN1C(=O)CN2C3=C(C=CC(=C3)Cl)SC2=O)S(=O)(=O)O

InChI

InChI=1S/C13H14ClN3O5S2/c14-9-1-2-11-10(7-9)17(13(19)23-11)8-12(18)15-3-5-16(6-4-15)24(20,21)22/h1-2,7H,3-6,8H2,(H,20,21,22)