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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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