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

Systemtic Name: 3-oxidanylidenebutan-2-yl 2-chloranyl-5-piperidin-1-ylsulfonyl-benzoate Openeye Name: (1-methyl-2-oxo-propyl) 2-chloro-5-(1-piperidylsulfonyl)benzoate CAS Name: 2-chloro-5-(1-piperidinylsulfonyl)benzoic acid 3-oxobutan-2-yl ester IUPAC Name: 3-oxobutan-2-yl 2-chloro-5-piperidin-1-ylsulfonylbenzoate Traditional Name: 2-chloro-5-piperidinosulfonyl-benzoic acid (2-keto-1-methyl-propyl) ester Formula: C16H20ClNO5S MolecularWeight: 373.8517

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C)OC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)Cl

Isomeric SMILES

CC(C(=O)C)OC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)Cl

InChI

InChI=1S/C16H20ClNO5S/c1-11(19)12(2)23-16(20)14-10-13(6-7-15(14)17)24(21,22)18-8-4-3-5-9-18/h6-7,10,12H,3-5,8-9H2,1-2H3