(2-oxidanylidene-2-thiophen-2-yl-ethyl) 4-chloranyl-3-pyrrolidin-1-ylsulfonyl-benzoate

Systemtic Name: (2-oxidanylidene-2-thiophen-2-yl-ethyl) 4-chloranyl-3-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: [2-oxo-2-(2-thienyl)ethyl] 4-chloro-3-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 4-chloro-3-(1-pyrrolidinylsulfonyl)benzoic acid (2-oxo-2-thiophen-2-ylethyl) ester IUPAC Name: (2-oxo-2-thiophen-2-ylethyl) 4-chloro-3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-chloro-3-pyrrolidinosulfonyl-benzoic acid [2-keto-2-(2-thienyl)ethyl] ester Formula: C17H16ClNO5S2 MolecularWeight: 413.89564

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)C3=CC=CS3)Cl

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)C3=CC=CS3)Cl

InChI

InChI=1S/C17H16ClNO5S2/c18-13-6-5-12(10-16(13)26(22,23)19-7-1-2-8-19)17(21)24-11-14(20)15-4-3-9-25-15/h3-6,9-10H,1-2,7-8,11H2