(5-methyl-1,2-oxazol-3-yl)methyl 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine-4-carboxylate

Systemtic Name: (5-methyl-1,2-oxazol-3-yl)methyl 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine-4-carboxylate Openeye Name: (5-methylisoxazol-3-yl)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 (5-methyl-3-isoxazolyl)methyl ester IUPAC Name: (5-methyl-1,2-oxazol-3-yl)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 (5-methylisoxazol-3-yl)methyl ester Formula: C19H22N2O7S MolecularWeight: 422.45218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CC1=CC(=NO1)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C19H22N2O7S/c1-13-10-15(20-28-13)12-27-19(22)14-4-6-21(7-5-14)29(23,24)16-2-3-17-18(11-16)26-9-8-25-17/h2-3,10-11,14H,4-9,12H2,1H3