methyl 6-oxidanylidene-1-[2-oxidanylidene-2-[(3-pyrrolidin-1-ylsulfonylphenyl)amino]ethyl]pyridine-3-carboxylate

Systemtic Name: methyl 6-oxidanylidene-1-[2-oxidanylidene-2-[(3-pyrrolidin-1-ylsulfonylphenyl)amino]ethyl]pyridine-3-carboxylate Openeye Name: methyl 6-oxo-1-[2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl]pyridine-3-carboxylate CAS Name: 6-oxo-1-[2-oxo-2-[3-(1-pyrrolidinylsulfonyl)anilino]ethyl]-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 6-oxo-1-[2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl]pyridine-3-carboxylate Traditional Name: 6-keto-1-[2-keto-2-(3-pyrrolidinosulfonylanilino)ethyl]nicotinic acid methyl ester Formula: C19H21N3O6S MolecularWeight: 419.45154

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN(C(=O)C=C1)CC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

COC(=O)C1=CN(C(=O)C=C1)CC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C19H21N3O6S/c1-28-19(25)14-7-8-18(24)21(12-14)13-17(23)20-15-5-4-6-16(11-15)29(26,27)22-9-2-3-10-22/h4-8,11-12H,2-3,9-10,13H2,1H3,(H,20,23)