1,3-benzodioxol-5-yl 1-methylsulfonylpiperidine-4-carboxylate

Systemtic Name: 1,3-benzodioxol-5-yl 1-methylsulfonylpiperidine-4-carboxylate Openeye Name: 1,3-benzodioxol-5-yl 1-methylsulfonylpiperidine-4-carboxylate CAS Name: 1-methylsulfonyl-4-piperidinecarboxylic acid 1,3-benzodioxol-5-yl ester IUPAC Name: 1,3-benzodioxol-5-yl 1-methylsulfonylpiperidine-4-carboxylate Traditional Name: 1-mesylisonipecotic acid 1,3-benzodioxol-5-yl ester Formula: C14H17NO6S MolecularWeight: 327.35288

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC(CC1)C(=O)OC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CS(=O)(=O)N1CCC(CC1)C(=O)OC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C14H17NO6S/c1-22(17,18)15-6-4-10(5-7-15)14(16)21-11-2-3-12-13(8-11)20-9-19-12/h2-3,8,10H,4-7,9H2,1H3