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

Systemtic Name: 3-oxidanylidenebutan-2-yl 2-methyl-5-piperidin-1-ylsulfonyl-benzoate Openeye Name: (1-methyl-2-oxo-propyl) 2-methyl-5-(1-piperidylsulfonyl)benzoate CAS Name: 2-methyl-5-(1-piperidinylsulfonyl)benzoic acid 3-oxobutan-2-yl ester IUPAC Name: 3-oxobutan-2-yl 2-methyl-5-piperidin-1-ylsulfonylbenzoate Traditional Name: 2-methyl-5-piperidinosulfonyl-benzoic acid (2-keto-1-methyl-propyl) ester Formula: C17H23NO5S MolecularWeight: 353.43322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)OC(C)C(=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)OC(C)C(=O)C

InChI

InChI=1S/C17H23NO5S/c1-12-7-8-15(24(21,22)18-9-5-4-6-10-18)11-16(12)17(20)23-14(3)13(2)19/h7-8,11,14H,4-6,9-10H2,1-3H3