(1-oxidanylidene-1-phenyl-propan-2-yl) 4-chloranyl-3-pyrrolidin-1-ylsulfonyl-benzoate

Systemtic Name: (1-oxidanylidene-1-phenyl-propan-2-yl) 4-chloranyl-3-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: (1-methyl-2-oxo-2-phenyl-ethyl) 4-chloro-3-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 4-chloro-3-(1-pyrrolidinylsulfonyl)benzoic acid (1-oxo-1-phenylpropan-2-yl) ester IUPAC Name: (1-oxo-1-phenylpropan-2-yl) 4-chloro-3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-chloro-3-pyrrolidinosulfonyl-benzoic acid (2-keto-1-methyl-2-phenyl-ethyl) ester Formula: C20H20ClNO5S MolecularWeight: 421.8945

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=CC=C1)OC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCC3

Isomeric SMILES

CC(C(=O)C1=CC=CC=C1)OC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C20H20ClNO5S/c1-14(19(23)15-7-3-2-4-8-15)27-20(24)16-9-10-17(21)18(13-16)28(25,26)22-11-5-6-12-22/h2-4,7-10,13-14H,5-6,11-12H2,1H3