ethyl 5-cyano-6-[4-[(2-methoxycarbonylphenyl)methylsulfonylcarbamoyl]piperidin-1-yl]-2-methyl-pyridine-3-carboxylate

Systemtic Name: ethyl 5-cyano-6-[4-[(2-methoxycarbonylphenyl)methylsulfonylcarbamoyl]piperidin-1-yl]-2-methyl-pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-6-[4-[(2-methoxycarbonylphenyl)methylsulfonylcarbamoyl]-1-piperidyl]-2-methyl-pyridine-3-carboxylate CAS Name: 5-cyano-6-[4-[[(2-methoxycarbonylphenyl)methylsulfonylamino]-oxomethyl]-1-piperidinyl]-2-methyl-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-6-[4-[(2-methoxycarbonylphenyl)methylsulfonylcarbamoyl]piperidin-1-yl]-2-methylpyridine-3-carboxylate Traditional Name: 6-[4-[(2-carbomethoxybenzyl)sulfonylcarbamoyl]piperidino]-5-cyano-2-methyl-nicotinic acid ethyl ester Formula: C25H28N4O7S MolecularWeight: 528.57742

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C(=C1)C#N)N2CCC(CC2)C(=O)NS(=O)(=O)CC3=CC=CC=C3C(=O)OC)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)N2CCC(CC2)C(=O)NS(=O)(=O)CC3=CC=CC=C3C(=O)OC)C

InChI

InChI=1S/C25H28N4O7S/c1-4-36-25(32)21-13-19(14-26)22(27-16(21)2)29-11-9-17(10-12-29)23(30)28-37(33,34)15-18-7-5-6-8-20(18)24(31)35-3/h5-8,13,17H,4,9-12,15H2,1-3H3,(H,28,30)