1,3-benzodioxol-5-yl (2R)-1-(4-methylphenyl)sulfonylpiperidine-2-carboxylate

Systemtic Name: 1,3-benzodioxol-5-yl (2R)-1-(4-methylphenyl)sulfonylpiperidine-2-carboxylate Openeye Name: 1,3-benzodioxol-5-yl (2R)-1-(p-tolylsulfonyl)piperidine-2-carboxylate CAS Name: (2R)-1-(4-methylphenyl)sulfonyl-2-piperidinecarboxylic acid 1,3-benzodioxol-5-yl ester IUPAC Name: 1,3-benzodioxol-5-yl (2R)-1-(4-methylphenyl)sulfonylpiperidine-2-carboxylate Traditional Name: (2R)-1-tosylpipecolinic acid 1,3-benzodioxol-5-yl ester Formula: C20H21NO6S MolecularWeight: 403.44884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2C(=O)OC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC[C@@H]2C(=O)OC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H21NO6S/c1-14-5-8-16(9-6-14)28(23,24)21-11-3-2-4-17(21)20(22)27-15-7-10-18-19(12-15)26-13-25-18/h5-10,12,17H,2-4,11,13H2,1H3/t17-/m1/s1