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

Systemtic Name: 2-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)carbamoyl]cyclohexane-1-carboxylic acid Openeye Name: 2-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)carbamoyl]cyclohexanecarboxylic acid CAS Name: 2-[[(6-methylsulfonyl-1,3-benzothiazol-2-yl)amino]-oxomethyl]-1-cyclohexanecarboxylic acid IUPAC Name: 2-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)carbamoyl]cyclohexane-1-carboxylic acid Traditional Name: 2-[(6-mesyl-1,3-benzothiazol-2-yl)carbamoyl]cyclohexanecarboxylic acid Formula: C16H18N2O5S2 MolecularWeight: 382.45452

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3CCCCC3C(=O)O

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3CCCCC3C(=O)O

InChI

InChI=1S/C16H18N2O5S2/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/h6-8,10-11H,2-5H2,1H3,(H,20,21)(H,17,18,19)