3-oxidanylidenebutan-2-yl 2-chloranyl-5-pyrrolidin-1-ylsulfonyl-benzoate

Systemtic Name: 3-oxidanylidenebutan-2-yl 2-chloranyl-5-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: (1-methyl-2-oxo-propyl) 2-chloro-5-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 2-chloro-5-(1-pyrrolidinylsulfonyl)benzoic acid 3-oxobutan-2-yl ester IUPAC Name: 3-oxobutan-2-yl 2-chloro-5-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 2-chloro-5-pyrrolidinosulfonyl-benzoic acid (2-keto-1-methyl-propyl) ester Formula: C15H18ClNO5S MolecularWeight: 359.82512

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C)OC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCCC2)Cl

Isomeric SMILES

CC(C(=O)C)OC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCCC2)Cl

InChI

InChI=1S/C15H18ClNO5S/c1-10(18)11(2)22-15(19)13-9-12(5-6-14(13)16)23(20,21)17-7-3-4-8-17/h5-6,9,11H,3-4,7-8H2,1-2H3