[2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl] 4-pyrrolidin-1-ylsulfonylbenzoate

Systemtic Name: [2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl] 4-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 4-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 4-(1-pyrrolidinylsulfonyl)benzoic acid [2-oxo-2-(1H-pyrrol-2-yl)ethyl] ester IUPAC Name: [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 4-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-pyrrolidinosulfonylbenzoic acid [2-keto-2-(1H-pyrrol-2-yl)ethyl] ester Formula: C17H18N2O5S MolecularWeight: 362.40022

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N2O5S/c20-16(15-4-3-9-18-15)12-24-17(21)13-5-7-14(8-6-13)25(22,23)19-10-1-2-11-19/h3-9,18H,1-2,10-12H2