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

Systemtic Name: (2-benzamido-2-oxidanylidene-ethyl) 4-chloranyl-3-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: (2-benzamido-2-oxo-ethyl) 4-chloro-3-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 4-chloro-3-(1-pyrrolidinylsulfonyl)benzoic acid (2-benzamido-2-oxoethyl) ester IUPAC Name: (2-benzamido-2-oxoethyl) 4-chloro-3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-chloro-3-pyrrolidinosulfonyl-benzoic acid (2-benzamido-2-keto-ethyl) ester Formula: C20H19ClN2O6S MolecularWeight: 450.89266

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19ClN2O6S/c21-16-9-8-15(12-17(16)30(27,28)23-10-4-5-11-23)20(26)29-13-18(24)22-19(25)14-6-2-1-3-7-14/h1-3,6-9,12H,4-5,10-11,13H2,(H,22,24,25)