methyl 5-[[4-[(3-cyclohexylpropanoylamino)methyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate

Systemtic Name: methyl 5-[[4-[(3-cyclohexylpropanoylamino)methyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate Openeye Name: methyl 5-[[4-[(3-cyclohexylpropanoylamino)methyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate CAS Name: 5-[[[4-[[(3-cyclohexyl-1-oxopropyl)amino]methyl]phenyl]sulfonylamino]-oxomethyl]-2-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-[(3-cyclohexylpropanoylamino)methyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate Traditional Name: 5-[[4-[(3-cyclohexylpropanoylamino)methyl]phenyl]sulfonylcarbamoyl]picolinic acid methyl ester Formula: C24H29N3O6S MolecularWeight: 487.56856

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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)CCC3CCCCC3

Isomeric SMILES

COC(=O)C1=NC=C(C=C1)C(=O)NS(=O)(=O)C2=CC=C(C=C2)CNC(=O)CCC3CCCCC3

InChI

InChI=1S/C24H29N3O6S/c1-33-24(30)21-13-10-19(16-25-21)23(29)27-34(31,32)20-11-7-18(8-12-20)15-26-22(28)14-9-17-5-3-2-4-6-17/h7-8,10-13,16-17H,2-6,9,14-15H2,1H3,(H,26,28)(H,27,29)