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

Systemtic Name: ethyl 1-[2-(1,3-benzodioxol-5-ylcarbonylamino)ethylsulfonyl]piperidine-4-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 1-[2-(1,3-benzodioxole-5-carbonylamino)ethylsulfonyl]piperidine-4-carboxylate Traditional Name: 1-[2-(piperonyloylamino)ethylsulfonyl]isonipecotic acid ethyl ester Formula: C18H24N2O7S MolecularWeight: 412.45736

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N2O7S/c1-2-25-18(22)13-5-8-20(9-6-13)28(23,24)10-7-19-17(21)14-3-4-15-16(11-14)27-12-26-15/h3-4,11,13H,2,5-10,12H2,1H3,(H,19,21)