(3-methoxycarbonylphenyl)methyl 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine-4-carboxylate

Systemtic Name: (3-methoxycarbonylphenyl)methyl 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine-4-carboxylate Openeye Name: (3-methoxycarbonylphenyl)methyl 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine-4-carboxylate CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-piperidinecarboxylic acid (3-methoxycarbonylphenyl)methyl ester IUPAC Name: (3-methoxycarbonylphenyl)methyl 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine-4-carboxylate Traditional Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)isonipecotic acid (3-carbomethoxybenzyl) ester Formula: C23H25NO8S MolecularWeight: 475.5115

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C23H25NO8S/c1-29-22(25)18-4-2-3-16(13-18)15-32-23(26)17-7-9-24(10-8-17)33(27,28)19-5-6-20-21(14-19)31-12-11-30-20/h2-6,13-14,17H,7-12,15H2,1H3