[2-oxidanylidene-2-[(4-pyrrolidin-1-ylsulfonylphenyl)amino]ethyl] 2,6-bis(chloranyl)pyridine-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-[(4-pyrrolidin-1-ylsulfonylphenyl)amino]ethyl] 2,6-bis(chloranyl)pyridine-4-carboxylate Openeye Name: [2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl] 2,6-dichloropyridine-4-carboxylate CAS Name: 2,6-dichloro-4-pyridinecarboxylic acid [2-oxo-2-[4-(1-pyrrolidinylsulfonyl)anilino]ethyl] ester IUPAC Name: [2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl] 2,6-dichloropyridine-4-carboxylate Traditional Name: 2,6-dichloroisonicotinic acid [2-keto-2-(4-pyrrolidinosulfonylanilino)ethyl] ester Formula: C18H17Cl2N3O5S MolecularWeight: 458.31568

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)COC(=O)C3=CC(=NC(=C3)Cl)Cl

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)COC(=O)C3=CC(=NC(=C3)Cl)Cl

InChI

InChI=1S/C18H17Cl2N3O5S/c19-15-9-12(10-16(20)22-15)18(25)28-11-17(24)21-13-3-5-14(6-4-13)29(26,27)23-7-1-2-8-23/h3-6,9-10H,1-2,7-8,11H2,(H,21,24)