[(3R,4R)-4-phenylpiperidin-3-yl] 4-(4-methylsulfonylphenyl)benzoate hydrochloride

Systemtic Name: [(3R,4R)-4-phenylpiperidin-3-yl] 4-(4-methylsulfonylphenyl)benzoate hydrochloride Openeye Name: [(3R,4R)-4-phenyl-3-piperidyl] 4-(4-methylsulfonylphenyl)benzoate hydrochloride CAS Name: 4-(4-methylsulfonylphenyl)benzoic acid [(3R,4R)-4-phenyl-3-piperidinyl] ester hydrochloride IUPAC Name: [(3R,4R)-4-phenylpiperidin-3-yl] 4-(4-methylsulfonylphenyl)benzoate hydrochloride Traditional Name: 4-(4-mesylphenyl)benzoic acid [(3R,4R)-4-phenyl-3-piperidyl] ester hydrochloride Formula: C25H26ClNO4S MolecularWeight: 471.99624

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3CNCCC3C4=CC=CC=C4.Cl

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)O[C@H]3CNCC[C@@H]3C4=CC=CC=C4.Cl

InChI

InChI=1S/C25H25NO4S.ClH/c1-31(28,29)22-13-11-19(12-14-22)18-7-9-21(10-8-18)25(27)30-24-17-26-16-15-23(24)20-5-3-2-4-6-20;/h2-14,23-24,26H,15-17H2,1H3;1H/t23-,24+;/m1./s1