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

Systemtic Name: 1-[2-(1,3-benzodioxol-5-ylcarbonylamino)ethylsulfonyl]piperidine-4-carboxylate Openeye Name: 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-piperidinecarboxylate IUPAC Name: 1-[2-(1,3-benzodioxole-5-carbonylamino)ethylsulfonyl]piperidine-4-carboxylate Traditional Name: 1-[2-(piperonyloylamino)ethylsulfonyl]isonipecotate Formula: C16H19N2O7S- MolecularWeight: 383.39626

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)[O-])S(=O)(=O)CCNC(=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

C1CN(CCC1C(=O)[O-])S(=O)(=O)CCNC(=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C16H20N2O7S/c19-15(12-1-2-13-14(9-12)25-10-24-13)17-5-8-26(22,23)18-6-3-11(4-7-18)16(20)21/h1-2,9,11H,3-8,10H2,(H,17,19)(H,20,21)/p-1