methyl 1-[4-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]butanoyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[4-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]butanoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[4-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]butanoyl]piperidine-4-carboxylate CAS Name: 1-[4-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-1-oxobutyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[4-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]butanoyl]piperidine-4-carboxylate Traditional Name: 1-[4-[1,3-benzodioxol-5-yl(mesyl)amino]butanoyl]isonipecotic acid methyl ester Formula: C19H26N2O7S MolecularWeight: 426.48394

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C(=O)CCCN(C2=CC3=C(C=C2)OCO3)S(=O)(=O)C

Isomeric SMILES

COC(=O)C1CCN(CC1)C(=O)CCCN(C2=CC3=C(C=C2)OCO3)S(=O)(=O)C

InChI

InChI=1S/C19H26N2O7S/c1-26-19(23)14-7-10-20(11-8-14)18(22)4-3-9-21(29(2,24)25)15-5-6-16-17(12-15)28-13-27-16/h5-6,12,14H,3-4,7-11,13H2,1-2H3