ethyl 5-(4-methoxy-4-oxidanylidene-butoxy)-2-methyl-6-[4-[(phenylmethyl)sulfonylcarbamoyl]piperidin-1-yl]pyridine-3-carboxylate

Systemtic Name: ethyl 5-(4-methoxy-4-oxidanylidene-butoxy)-2-methyl-6-[4-[(phenylmethyl)sulfonylcarbamoyl]piperidin-1-yl]pyridine-3-carboxylate Openeye Name: ethyl 6-[4-(benzylsulfonylcarbamoyl)-1-piperidyl]-5-(4-methoxy-4-oxo-butoxy)-2-methyl-pyridine-3-carboxylate CAS Name: 5-(4-methoxy-4-oxobutoxy)-2-methyl-6-[4-[oxo-[(phenylmethyl)sulfonylamino]methyl]-1-piperidinyl]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[4-(benzylsulfonylcarbamoyl)piperidin-1-yl]-5-(4-methoxy-4-oxobutoxy)-2-methylpyridine-3-carboxylate Traditional Name: 6-[4-(benzylsulfonylcarbamoyl)piperidino]-5-(4-keto-4-methoxy-butoxy)-2-methyl-nicotinic acid ethyl ester Formula: C27H35N3O8S MolecularWeight: 561.6471

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(N=C1C)N2CCC(CC2)C(=O)NS(=O)(=O)CC3=CC=CC=C3)OCCCC(=O)OC

Isomeric SMILES

CCOC(=O)C1=CC(=C(N=C1C)N2CCC(CC2)C(=O)NS(=O)(=O)CC3=CC=CC=C3)OCCCC(=O)OC

InChI

InChI=1S/C27H35N3O8S/c1-4-37-27(33)22-17-23(38-16-8-11-24(31)36-3)25(28-19(22)2)30-14-12-21(13-15-30)26(32)29-39(34,35)18-20-9-6-5-7-10-20/h5-7,9-10,17,21H,4,8,11-16,18H2,1-3H3,(H,29,32)