methyl 1-[2-(1,3-benzodioxol-5-ylcarbonylamino)ethylsulfonyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[2-(1,3-benzodioxol-5-ylcarbonylamino)ethylsulfonyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-(1,3-benzodioxole-5-carbonylamino)ethylsulfonyl]piperidine-4-carboxylate CAS Name: 1-[2-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]ethylsulfonyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(1,3-benzodioxole-5-carbonylamino)ethylsulfonyl]piperidine-4-carboxylate Traditional Name: 1-[2-(piperonyloylamino)ethylsulfonyl]isonipecotic acid methyl ester Formula: C17H22N2O7S MolecularWeight: 398.43078

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N2O7S/c1-24-17(21)12-4-7-19(8-5-12)27(22,23)9-6-18-16(20)13-2-3-14-15(10-13)26-11-25-14/h2-3,10,12H,4-9,11H2,1H3,(H,18,20)