2-chloranyl-5-[(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)sulfamoyl]benzoic acid

Systemtic Name: 2-chloranyl-5-[(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)sulfamoyl]benzoic acid Openeye Name: 2-chloro-5-[(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)sulfamoyl]benzoic acid CAS Name: 2-chloro-5-[[2-(1-pyrrolidinyl)-1,3-benzothiazol-6-yl]sulfamoyl]benzoic acid IUPAC Name: 2-chloro-5-[(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)sulfamoyl]benzoic acid Traditional Name: 2-chloro-5-[(2-pyrrolidino-1,3-benzothiazol-6-yl)sulfamoyl]benzoic acid Formula: C18H16ClN3O4S2 MolecularWeight: 437.92034

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NC3=C(S2)C=C(C=C3)NS(=O)(=O)C4=CC(=C(C=C4)Cl)C(=O)O

Isomeric SMILES

C1CCN(C1)C2=NC3=C(S2)C=C(C=C3)NS(=O)(=O)C4=CC(=C(C=C4)Cl)C(=O)O

InChI

InChI=1S/C18H16ClN3O4S2/c19-14-5-4-12(10-13(14)17(23)24)28(25,26)21-11-3-6-15-16(9-11)27-18(20-15)22-7-1-2-8-22/h3-6,9-10,21H,1-2,7-8H2,(H,23,24)