2-methylpropyl 4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoate

Systemtic Name: 2-methylpropyl 4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoate Openeye Name: isobutyl 4-[[(3S,5R)-3,5-dimethyl-1-piperidyl]sulfonyl]benzoate CAS Name: 4-[[(3S,5R)-3,5-dimethyl-1-piperidinyl]sulfonyl]benzoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoate Traditional Name: 4-[(3S,5R)-3,5-dimethylpiperidino]sulfonylbenzoic acid isobutyl ester Formula: C18H27NO4S MolecularWeight: 353.47628

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC(C)C)C

Isomeric SMILES

C[C@@H]1C[C@@H](CN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC(C)C)C

InChI

InChI=1S/C18H27NO4S/c1-13(2)12-23-18(20)16-5-7-17(8-6-16)24(21,22)19-10-14(3)9-15(4)11-19/h5-8,13-15H,9-12H2,1-4H3/t14-,15+