4-methyl-2-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)carbamoyl]benzoic acid

Systemtic Name: 4-methyl-2-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)carbamoyl]benzoic acid Openeye Name: 4-methyl-2-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)carbamoyl]benzoic acid CAS Name: 4-methyl-2-[[(6-methylsulfonyl-1,3-benzothiazol-2-yl)amino]-oxomethyl]benzoic acid IUPAC Name: 4-methyl-2-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)carbamoyl]benzoic acid Traditional Name: 2-[(6-mesyl-1,3-benzothiazol-2-yl)carbamoyl]-4-methyl-benzoic acid Formula: C17H14N2O5S2 MolecularWeight: 390.43346

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)O)C(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)O)C(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C17H14N2O5S2/c1-9-3-5-11(16(21)22)12(7-9)15(20)19-17-18-13-6-4-10(26(2,23)24)8-14(13)25-17/h3-8H,1-2H3,(H,21,22)(H,18,19,20)