methyl 5-[[4-[(2-cyclohexylethanoylamino)methyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate

Systemtic Name: methyl 5-[[4-[(2-cyclohexylethanoylamino)methyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate Openeye Name: methyl 5-[[4-[[(2-cyclohexylacetyl)amino]methyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate CAS Name: 5-[[[4-[[(2-cyclohexyl-1-oxoethyl)amino]methyl]phenyl]sulfonylamino]-oxomethyl]-2-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-[[(2-cyclohexylacetyl)amino]methyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate Traditional Name: 5-[[4-[[(2-cyclohexylacetyl)amino]methyl]phenyl]sulfonylcarbamoyl]picolinic acid methyl ester Formula: C23H27N3O6S MolecularWeight: 473.54198

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=NC=C(C=C1)C(=O)NS(=O)(=O)C2=CC=C(C=C2)CNC(=O)CC3CCCCC3

Isomeric SMILES

COC(=O)C1=NC=C(C=C1)C(=O)NS(=O)(=O)C2=CC=C(C=C2)CNC(=O)CC3CCCCC3

InChI

InChI=1S/C23H27N3O6S/c1-32-23(29)20-12-9-18(15-24-20)22(28)26-33(30,31)19-10-7-17(8-11-19)14-25-21(27)13-16-5-3-2-4-6-16/h7-12,15-16H,2-6,13-14H2,1H3,(H,25,27)(H,26,28)