(3,4-dimethylphenyl) (3R)-1-propylsulfonylpiperidine-3-carboxylate

Systemtic Name: (3,4-dimethylphenyl) (3R)-1-propylsulfonylpiperidine-3-carboxylate Openeye Name: (3,4-dimethylphenyl) (3R)-1-propylsulfonylpiperidine-3-carboxylate CAS Name: (3R)-1-propylsulfonyl-3-piperidinecarboxylic acid (3,4-dimethylphenyl) ester IUPAC Name: (3,4-dimethylphenyl) (3R)-1-propylsulfonylpiperidine-3-carboxylate Traditional Name: (3R)-1-propylsulfonylnipecotic acid (3,4-dimethylphenyl) ester Formula: C17H25NO4S MolecularWeight: 339.4497

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)N1CCCC(C1)C(=O)OC2=CC(=C(C=C2)C)C

Isomeric SMILES

CCCS(=O)(=O)N1CCC[C@H](C1)C(=O)OC2=CC(=C(C=C2)C)C

InChI

InChI=1S/C17H25NO4S/c1-4-10-23(20,21)18-9-5-6-15(12-18)17(19)22-16-8-7-13(2)14(3)11-16/h7-8,11,15H,4-6,9-10,12H2,1-3H3/t15-/m1/s1