(2-azanyl-2-oxidanylidene-ethyl) 1-(3,4-dimethoxyphenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: (2-azanyl-2-oxidanylidene-ethyl) 1-(3,4-dimethoxyphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: (2-amino-2-oxo-ethyl) 1-(3,4-dimethoxyphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(3,4-dimethoxyphenyl)sulfonyl-4-piperidinecarboxylic acid (2-amino-2-oxoethyl) ester IUPAC Name: (2-amino-2-oxoethyl) 1-(3,4-dimethoxyphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(3,4-dimethoxyphenyl)sulfonylisonipecotic acid (2-amino-2-keto-ethyl) ester Formula: C16H22N2O7S MolecularWeight: 386.42008

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OCC(=O)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OCC(=O)N)OC

InChI

InChI=1S/C16H22N2O7S/c1-23-13-4-3-12(9-14(13)24-2)26(21,22)18-7-5-11(6-8-18)16(20)25-10-15(17)19/h3-4,9,11H,5-8,10H2,1-2H3,(H2,17,19)