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

Systemtic Name: ethyl 6-[4-[(3-bromophenyl)methylsulfonylcarbamoyl]piperidin-1-yl]-5-cyano-2-methyl-pyridine-3-carboxylate Openeye Name: ethyl 6-[4-[(3-bromophenyl)methylsulfonylcarbamoyl]-1-piperidyl]-5-cyano-2-methyl-pyridine-3-carboxylate CAS Name: 6-[4-[[(3-bromophenyl)methylsulfonylamino]-oxomethyl]-1-piperidinyl]-5-cyano-2-methyl-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[4-[(3-bromophenyl)methylsulfonylcarbamoyl]piperidin-1-yl]-5-cyano-2-methylpyridine-3-carboxylate Traditional Name: 6-[4-[(3-bromobenzyl)sulfonylcarbamoyl]piperidino]-5-cyano-2-methyl-nicotinic acid ethyl ester Formula: C23H25BrN4O5S MolecularWeight: 549.4374

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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)Br)C

Isomeric SMILES

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

InChI

InChI=1S/C23H25BrN4O5S/c1-3-33-23(30)20-12-18(13-25)21(26-15(20)2)28-9-7-17(8-10-28)22(29)27-34(31,32)14-16-5-4-6-19(24)11-16/h4-6,11-12,17H,3,7-10,14H2,1-2H3,(H,27,29)