3-carboxy-2-[(4-methyl-1,3-benzothiazol-2-yl)carbamoyl]benzenesulfonate

Systemtic Name: 3-carboxy-2-[(4-methyl-1,3-benzothiazol-2-yl)carbamoyl]benzenesulfonate Openeye Name: 3-carboxy-2-[(4-methyl-1,3-benzothiazol-2-yl)carbamoyl]benzenesulfonate CAS Name: 3-carboxy-2-[[(4-methyl-1,3-benzothiazol-2-yl)amino]-oxomethyl]benzenesulfonate IUPAC Name: 3-carboxy-2-[(4-methyl-1,3-benzothiazol-2-yl)carbamoyl]benzenesulfonate Traditional Name: 3-carboxy-2-[(4-methyl-1,3-benzothiazol-2-yl)carbamoyl]besylate Formula: C16H11N2O6S2- MolecularWeight: 391.39834

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=N2)NC(=O)C3=C(C=CC=C3S(=O)(=O)[O-])C(=O)O

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)NC(=O)C3=C(C=CC=C3S(=O)(=O)[O-])C(=O)O

InChI

InChI=1S/C16H12N2O6S2/c1-8-4-2-6-10-13(8)17-16(25-10)18-14(19)12-9(15(20)21)5-3-7-11(12)26(22,23)24/h2-7H,1H3,(H,20,21)(H,17,18,19)(H,22,23,24)/p-1