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

Systemtic Name: ethyl 1-[2-(1,3-benzodioxol-5-ylcarbonylamino)ethylsulfonyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[2-(1,3-benzodioxole-5-carbonylamino)ethylsulfonyl]piperidine-3-carboxylate CAS Name: 1-[2-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]ethylsulfonyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(1,3-benzodioxole-5-carbonylamino)ethylsulfonyl]piperidine-3-carboxylate Traditional Name: 1-[2-(piperonyloylamino)ethylsulfonyl]nipecotic acid ethyl ester Formula: C18H24N2O7S MolecularWeight: 412.45736

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)S(=O)(=O)CCNC(=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCOC(=O)C1CCCN(C1)S(=O)(=O)CCNC(=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C18H24N2O7S/c1-2-25-18(22)14-4-3-8-20(11-14)28(23,24)9-7-19-17(21)13-5-6-15-16(10-13)27-12-26-15/h5-6,10,14H,2-4,7-9,11-12H2,1H3,(H,19,21)