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

Systemtic Name: ethyl 5-cyano-2-(dimethylaminomethyl)-6-[4-[(phenylmethyl)sulfonylcarbamoyl]piperidin-1-yl]pyridine-3-carboxylate Openeye Name: ethyl 6-[4-(benzylsulfonylcarbamoyl)-1-piperidyl]-5-cyano-2-(dimethylaminomethyl)pyridine-3-carboxylate CAS Name: 5-cyano-2-(dimethylaminomethyl)-6-[4-[oxo-[(phenylmethyl)sulfonylamino]methyl]-1-piperidinyl]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[4-(benzylsulfonylcarbamoyl)piperidin-1-yl]-5-cyano-2-(dimethylaminomethyl)pyridine-3-carboxylate Traditional Name: 6-[4-(benzylsulfonylcarbamoyl)piperidino]-5-cyano-2-(dimethylaminomethyl)nicotinic acid ethyl ester Formula: C25H31N5O5S MolecularWeight: 513.60914

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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)CN(C)C

Isomeric SMILES

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

InChI

InChI=1S/C25H31N5O5S/c1-4-35-25(32)21-14-20(15-26)23(27-22(21)16-29(2)3)30-12-10-19(11-13-30)24(31)28-36(33,34)17-18-8-6-5-7-9-18/h5-9,14,19H,4,10-13,16-17H2,1-3H3,(H,28,31)