2-[2-(5-chloranyl-1,3-benzothiazol-2-yl)ethylamino]-5-(diethylsulfamoyl)benzoic acid

Systemtic Name: 2-[2-(5-chloranyl-1,3-benzothiazol-2-yl)ethylamino]-5-(diethylsulfamoyl)benzoic acid Openeye Name: 2-[2-(5-chloro-1,3-benzothiazol-2-yl)ethylamino]-5-(diethylsulfamoyl)benzoic acid CAS Name: 2-[2-(5-chloro-1,3-benzothiazol-2-yl)ethylamino]-5-(diethylsulfamoyl)benzoic acid IUPAC Name: 2-[2-(5-chloro-1,3-benzothiazol-2-yl)ethylamino]-5-(diethylsulfamoyl)benzoic acid Traditional Name: 2-[2-(5-chloro-1,3-benzothiazol-2-yl)ethylamino]-5-(diethylsulfamoyl)benzoic acid Formula: C20H22ClN3O4S2 MolecularWeight: 467.98938

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)NCCC2=NC3=C(S2)C=CC(=C3)Cl)C(=O)O

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)NCCC2=NC3=C(S2)C=CC(=C3)Cl)C(=O)O

InChI

InChI=1S/C20H22ClN3O4S2/c1-3-24(4-2)30(27,28)14-6-7-16(15(12-14)20(25)26)22-10-9-19-23-17-11-13(21)5-8-18(17)29-19/h5-8,11-12,22H,3-4,9-10H2,1-2H3,(H,25,26)