2,2-dimethylpropyl 5-cyano-2-methyl-6-[4-[(phenylmethyl)sulfonylcarbamoyl]piperidin-1-yl]pyridine-3-carboxylate

Systemtic Name: 2,2-dimethylpropyl 5-cyano-2-methyl-6-[4-[(phenylmethyl)sulfonylcarbamoyl]piperidin-1-yl]pyridine-3-carboxylate Openeye Name: 2,2-dimethylpropyl 6-[4-(benzylsulfonylcarbamoyl)-1-piperidyl]-5-cyano-2-methyl-pyridine-3-carboxylate CAS Name: 5-cyano-2-methyl-6-[4-[oxo-[(phenylmethyl)sulfonylamino]methyl]-1-piperidinyl]-3-pyridinecarboxylic acid 2,2-dimethylpropyl ester IUPAC Name: 2,2-dimethylpropyl 6-[4-(benzylsulfonylcarbamoyl)piperidin-1-yl]-5-cyano-2-methylpyridine-3-carboxylate Traditional Name: 6-[4-(benzylsulfonylcarbamoyl)piperidino]-5-cyano-2-methyl-nicotinic acid neopentyl ester Formula: C26H32N4O5S MolecularWeight: 512.62108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=N1)N2CCC(CC2)C(=O)NS(=O)(=O)CC3=CC=CC=C3)C#N)C(=O)OCC(C)(C)C

Isomeric SMILES

CC1=C(C=C(C(=N1)N2CCC(CC2)C(=O)NS(=O)(=O)CC3=CC=CC=C3)C#N)C(=O)OCC(C)(C)C

InChI

InChI=1S/C26H32N4O5S/c1-18-22(25(32)35-17-26(2,3)4)14-21(15-27)23(28-18)30-12-10-20(11-13-30)24(31)29-36(33,34)16-19-8-6-5-7-9-19/h5-9,14,20H,10-13,16-17H2,1-4H3,(H,29,31)