(4-propanoylphenyl) 4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoate

Systemtic Name: (4-propanoylphenyl) 4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoate Openeye Name: (4-propanoylphenyl) 4-[[(3R,5R)-3,5-dimethyl-1-piperidyl]sulfonyl]benzoate CAS Name: 4-[[(3R,5R)-3,5-dimethyl-1-piperidinyl]sulfonyl]benzoic acid [4-(1-oxopropyl)phenyl] ester IUPAC Name: (4-propanoylphenyl) 4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoate Traditional Name: 4-[(3R,5R)-3,5-dimethylpiperidino]sulfonylbenzoic acid (4-propionylphenyl) ester Formula: C23H27NO5S MolecularWeight: 429.52918

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CC(CC(C3)C)C

Isomeric SMILES

CCC(=O)C1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)S(=O)(=O)N3C[C@@H](C[C@H](C3)C)C

InChI

InChI=1S/C23H27NO5S/c1-4-22(25)18-5-9-20(10-6-18)29-23(26)19-7-11-21(12-8-19)30(27,28)24-14-16(2)13-17(3)15-24/h5-12,16-17H,4,13-15H2,1-3H3/t16-,17-/m1/s1