(5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 1-(phenylsulfonyl)piperidine-2-carboxylate

Systemtic Name: (5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 1-(phenylsulfonyl)piperidine-2-carboxylate Openeye Name: (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 1-(benzenesulfonyl)piperidine-2-carboxylate CAS Name: 1-(benzenesulfonyl)-2-piperidinecarboxylic acid (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester IUPAC Name: (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 1-(benzenesulfonyl)piperidine-2-carboxylate Traditional Name: 1-besylpipecolinic acid (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester Formula: C21H22ClNO6S MolecularWeight: 451.92048

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)OCC2=CC3=C(C(=C2)Cl)OCCO3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CCN(C(C1)C(=O)OCC2=CC3=C(C(=C2)Cl)OCCO3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H22ClNO6S/c22-17-12-15(13-19-20(17)28-11-10-27-19)14-29-21(24)18-8-4-5-9-23(18)30(25,26)16-6-2-1-3-7-16/h1-3,6-7,12-13,18H,4-5,8-11,14H2