ethyl 5-cyano-6-[4-[(phenylmethyl)sulfonylcarbamoyl]piperidin-1-yl]-2-(pyrrolidin-1-ylmethyl)pyridine-3-carboxylate

Systemtic Name: ethyl 5-cyano-6-[4-[(phenylmethyl)sulfonylcarbamoyl]piperidin-1-yl]-2-(pyrrolidin-1-ylmethyl)pyridine-3-carboxylate Openeye Name: ethyl 6-[4-(benzylsulfonylcarbamoyl)-1-piperidyl]-5-cyano-2-(pyrrolidin-1-ylmethyl)pyridine-3-carboxylate CAS Name: 5-cyano-6-[4-[oxo-[(phenylmethyl)sulfonylamino]methyl]-1-piperidinyl]-2-(1-pyrrolidinylmethyl)-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[4-(benzylsulfonylcarbamoyl)piperidin-1-yl]-5-cyano-2-(pyrrolidin-1-ylmethyl)pyridine-3-carboxylate Traditional Name: 6-[4-(benzylsulfonylcarbamoyl)piperidino]-5-cyano-2-(pyrrolidinomethyl)nicotinic acid ethyl ester Formula: C27H33N5O5S MolecularWeight: 539.64642

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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=C3)CN4CCCC4

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)N2CCC(CC2)C(=O)NS(=O)(=O)CC3=CC=CC=C3)CN4CCCC4

InChI

InChI=1S/C27H33N5O5S/c1-2-37-27(34)23-16-22(17-28)25(29-24(23)18-31-12-6-7-13-31)32-14-10-21(11-15-32)26(33)30-38(35,36)19-20-8-4-3-5-9-20/h3-5,8-9,16,21H,2,6-7,10-15,18-19H2,1H3,(H,30,33)