3-[4-[2-(5-chloranyl-1,3-benzothiazol-2-yl)ethylsulfamoyl]phenyl]propanoate

Systemtic Name: 3-[4-[2-(5-chloranyl-1,3-benzothiazol-2-yl)ethylsulfamoyl]phenyl]propanoate Openeye Name: 3-[4-[2-(5-chloro-1,3-benzothiazol-2-yl)ethylsulfamoyl]phenyl]propanoate CAS Name: 3-[4-[2-(5-chloro-1,3-benzothiazol-2-yl)ethylsulfamoyl]phenyl]propanoate IUPAC Name: 3-[4-[2-(5-chloro-1,3-benzothiazol-2-yl)ethylsulfamoyl]phenyl]propanoate Traditional Name: 3-[4-[2-(5-chloro-1,3-benzothiazol-2-yl)ethylsulfamoyl]phenyl]propionate Formula: C18H16ClN2O4S2- MolecularWeight: 423.91364

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCC(=O)[O-])S(=O)(=O)NCCC2=NC3=C(S2)C=CC(=C3)Cl

Isomeric SMILES

C1=CC(=CC=C1CCC(=O)[O-])S(=O)(=O)NCCC2=NC3=C(S2)C=CC(=C3)Cl

InChI

InChI=1S/C18H17ClN2O4S2/c19-13-4-7-16-15(11-13)21-17(26-16)9-10-20-27(24,25)14-5-1-12(2-6-14)3-8-18(22)23/h1-2,4-7,11,20H,3,8-10H2,(H,22,23)/p-1