6-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid

Systemtic Name: 6-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid Openeye Name: 6-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid CAS Name: 6-[[(6-methylsulfonyl-1,3-benzothiazol-2-yl)amino]-oxomethyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: 6-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid Traditional Name: 6-[(6-mesyl-1,3-benzothiazol-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid Formula: C16H16N2O5S2 MolecularWeight: 380.43864

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3CC=CCC3C(=O)O

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3CC=CCC3C(=O)O

InChI

InChI=1S/C16H16N2O5S2/c1-25(22,23)9-6-7-12-13(8-9)24-16(17-12)18-14(19)10-4-2-3-5-11(10)15(20)21/h2-3,6-8,10-11H,4-5H2,1H3,(H,20,21)(H,17,18,19)