3-oxidanylidenebutan-2-yl 3-piperidin-1-ylsulfonylbenzoate

Systemtic Name: 3-oxidanylidenebutan-2-yl 3-piperidin-1-ylsulfonylbenzoate Openeye Name: (1-methyl-2-oxo-propyl) 3-(1-piperidylsulfonyl)benzoate CAS Name: 3-(1-piperidinylsulfonyl)benzoic acid 3-oxobutan-2-yl ester IUPAC Name: 3-oxobutan-2-yl 3-piperidin-1-ylsulfonylbenzoate Traditional Name: 3-piperidinosulfonylbenzoic acid (2-keto-1-methyl-propyl) ester Formula: C16H21NO5S MolecularWeight: 339.40664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21NO5S/c1-12(18)13(2)22-16(19)14-7-6-8-15(11-14)23(20,21)17-9-4-3-5-10-17/h6-8,11,13H,3-5,9-10H2,1-2H3