[2-oxidanylidene-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 4-chloranyl-1H-pyrrole-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 4-chloranyl-1H-pyrrole-2-carboxylate Openeye Name: [2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 4-chloro-1H-pyrrole-2-carboxylate CAS Name: 4-chloro-1H-pyrrole-2-carboxylic acid [2-oxo-2-[4-(1-pyrrolidinylsulfonyl)phenyl]ethyl] ester IUPAC Name: [2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 4-chloro-1H-pyrrole-2-carboxylate Traditional Name: 4-chloro-1H-pyrrole-2-carboxylic acid [2-keto-2-(4-pyrrolidinosulfonylphenyl)ethyl] ester Formula: C17H17ClN2O5S MolecularWeight: 396.84528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)COC(=O)C3=CC(=CN3)Cl

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)COC(=O)C3=CC(=CN3)Cl

InChI

InChI=1S/C17H17ClN2O5S/c18-13-9-15(19-10-13)17(22)25-11-16(21)12-3-5-14(6-4-12)26(23,24)20-7-1-2-8-20/h3-6,9-10,19H,1-2,7-8,11H2