ethyl 5-bromanyl-2-[(2-oxidanylidenepyrrolidin-1-yl)methyl]-6-[4-[(phenylmethyl)sulfonylcarbamoyl]piperidin-1-yl]pyridine-3-carboxylate

Systemtic Name: ethyl 5-bromanyl-2-[(2-oxidanylidenepyrrolidin-1-yl)methyl]-6-[4-[(phenylmethyl)sulfonylcarbamoyl]piperidin-1-yl]pyridine-3-carboxylate Openeye Name: ethyl 6-[4-(benzylsulfonylcarbamoyl)-1-piperidyl]-5-bromo-2-[(2-oxopyrrolidin-1-yl)methyl]pyridine-3-carboxylate CAS Name: 5-bromo-6-[4-[oxo-[(phenylmethyl)sulfonylamino]methyl]-1-piperidinyl]-2-[(2-oxo-1-pyrrolidinyl)methyl]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[4-(benzylsulfonylcarbamoyl)piperidin-1-yl]-5-bromo-2-[(2-oxopyrrolidin-1-yl)methyl]pyridine-3-carboxylate Traditional Name: 6-[4-(benzylsulfonylcarbamoyl)piperidino]-5-bromo-2-[(2-ketopyrrolidino)methyl]nicotinic acid ethyl ester Formula: C26H31BrN4O6S MolecularWeight: 607.51654

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(N=C1CN2CCCC2=O)N3CCC(CC3)C(=O)NS(=O)(=O)CC4=CC=CC=C4)Br

Isomeric SMILES

CCOC(=O)C1=CC(=C(N=C1CN2CCCC2=O)N3CCC(CC3)C(=O)NS(=O)(=O)CC4=CC=CC=C4)Br

InChI

InChI=1S/C26H31BrN4O6S/c1-2-37-26(34)20-15-21(27)24(28-22(20)16-31-12-6-9-23(31)32)30-13-10-19(11-14-30)25(33)29-38(35,36)17-18-7-4-3-5-8-18/h3-5,7-8,15,19H,2,6,9-14,16-17H2,1H3,(H,29,33)