methyl 1-[2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]ethanoyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]ethanoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]acetyl]piperidine-4-carboxylate CAS Name: 1-[2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-1-oxoethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]acetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[1,3-benzodioxol-5-yl(mesyl)amino]acetyl]isonipecotic acid methyl ester Formula: C17H22N2O7S MolecularWeight: 398.43078

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N2O7S/c1-24-17(21)12-5-7-18(8-6-12)16(20)10-19(27(2,22)23)13-3-4-14-15(9-13)26-11-25-14/h3-4,9,12H,5-8,10-11H2,1-2H3