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

Systemtic Name: methyl 1-[2-[1,3-benzodioxol-5-yl(ethylsulfonyl)amino]ethanoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-[1,3-benzodioxol-5-yl(ethylsulfonyl)amino]acetyl]piperidine-4-carboxylate CAS Name: 1-[2-[1,3-benzodioxol-5-yl(ethylsulfonyl)amino]-1-oxoethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-[1,3-benzodioxol-5-yl(ethylsulfonyl)amino]acetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[1,3-benzodioxol-5-yl(esyl)amino]acetyl]isonipecotic acid methyl ester Formula: C18H24N2O7S MolecularWeight: 412.45736

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N(CC(=O)N1CCC(CC1)C(=O)OC)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCS(=O)(=O)N(CC(=O)N1CCC(CC1)C(=O)OC)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C18H24N2O7S/c1-3-28(23,24)20(14-4-5-15-16(10-14)27-12-26-15)11-17(21)19-8-6-13(7-9-19)18(22)25-2/h4-5,10,13H,3,6-9,11-12H2,1-2H3