3-[4-[(2-methyl-1,3-benzothiazol-6-yl)sulfamoyl]phenyl]propanoate

Systemtic Name: 3-[4-[(2-methyl-1,3-benzothiazol-6-yl)sulfamoyl]phenyl]propanoate Openeye Name: 3-[4-[(2-methyl-1,3-benzothiazol-6-yl)sulfamoyl]phenyl]propanoate CAS Name: 3-[4-[(2-methyl-1,3-benzothiazol-6-yl)sulfamoyl]phenyl]propanoate IUPAC Name: 3-[4-[(2-methyl-1,3-benzothiazol-6-yl)sulfamoyl]phenyl]propanoate Traditional Name: 3-[4-[(2-methyl-1,3-benzothiazol-6-yl)sulfamoyl]phenyl]propionate Formula: C17H15N2O4S2- MolecularWeight: 375.442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(S1)C=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)CCC(=O)[O-]

Isomeric SMILES

CC1=NC2=C(S1)C=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)CCC(=O)[O-]

InChI

InChI=1S/C17H16N2O4S2/c1-11-18-15-8-5-13(10-16(15)24-11)19-25(22,23)14-6-2-12(3-7-14)4-9-17(20)21/h2-3,5-8,10,19H,4,9H2,1H3,(H,20,21)/p-1