3-oxidanylidenebutan-2-yl 4-chloranyl-3-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: 3-oxidanylidenebutan-2-yl 4-chloranyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: (1-methyl-2-oxo-propyl) 4-chloro-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-chloro-3-(1-piperidinylsulfonyl)benzoic acid 3-oxobutan-2-yl ester IUPAC Name: 3-oxobutan-2-yl 4-chloro-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-chloro-3-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=CC(=C(C=C1)Cl)S(=O)(=O)N2CCCCC2

Isomeric SMILES

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

InChI

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