ethyl 4-azanyl-5-chloranyl-6-[4-[(phenylmethyl)sulfonylcarbamoyl]piperidin-1-yl]pyridine-3-carboxylate

Systemtic Name: ethyl 4-azanyl-5-chloranyl-6-[4-[(phenylmethyl)sulfonylcarbamoyl]piperidin-1-yl]pyridine-3-carboxylate Openeye Name: ethyl 4-amino-6-[4-(benzylsulfonylcarbamoyl)-1-piperidyl]-5-chloro-pyridine-3-carboxylate CAS Name: 4-amino-5-chloro-6-[4-[oxo-[(phenylmethyl)sulfonylamino]methyl]-1-piperidinyl]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-6-[4-(benzylsulfonylcarbamoyl)piperidin-1-yl]-5-chloropyridine-3-carboxylate Traditional Name: 4-amino-6-[4-(benzylsulfonylcarbamoyl)piperidino]-5-chloro-nicotinic acid ethyl ester Formula: C21H25ClN4O5S MolecularWeight: 480.965

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(C(=C1N)Cl)N2CCC(CC2)C(=O)NS(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CN=C(C(=C1N)Cl)N2CCC(CC2)C(=O)NS(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C21H25ClN4O5S/c1-2-31-21(28)16-12-24-19(17(22)18(16)23)26-10-8-15(9-11-26)20(27)25-32(29,30)13-14-6-4-3-5-7-14/h3-7,12,15H,2,8-11,13H2,1H3,(H2,23,24)(H,25,27)