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

Systemtic Name: 2-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)carbamoyl]cyclohexane-1-carboxylate Openeye Name: 2-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)carbamoyl]cyclohexanecarboxylate CAS Name: 2-[[(6-methylsulfonyl-1,3-benzothiazol-2-yl)amino]-oxomethyl]-1-cyclohexanecarboxylate IUPAC Name: 2-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)carbamoyl]cyclohexane-1-carboxylate Traditional Name: 2-[(6-mesyl-1,3-benzothiazol-2-yl)carbamoyl]cyclohexanecarboxylate Formula: C16H17N2O5S2- MolecularWeight: 381.44658

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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)/p-1