methyl 1-[2-[(3,4-dimethoxyphenyl)carbonylamino]ethylsulfonyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[2-[(3,4-dimethoxyphenyl)carbonylamino]ethylsulfonyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-[(3,4-dimethoxybenzoyl)amino]ethylsulfonyl]piperidine-4-carboxylate CAS Name: 1-[2-[[(3,4-dimethoxyphenyl)-oxomethyl]amino]ethylsulfonyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-[(3,4-dimethoxybenzoyl)amino]ethylsulfonyl]piperidine-4-carboxylate Traditional Name: 1-[2-(veratroylamino)ethylsulfonyl]isonipecotic acid methyl ester Formula: C18H26N2O7S MolecularWeight: 414.47324

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NCCS(=O)(=O)N2CCC(CC2)C(=O)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NCCS(=O)(=O)N2CCC(CC2)C(=O)OC)OC

InChI

InChI=1S/C18H26N2O7S/c1-25-15-5-4-14(12-16(15)26-2)17(21)19-8-11-28(23,24)20-9-6-13(7-10-20)18(22)27-3/h4-5,12-13H,6-11H2,1-3H3,(H,19,21)