[2-(aminocarbonylamino)-2-oxidanylidene-ethyl] 1-(4-methylphenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: [2-(aminocarbonylamino)-2-oxidanylidene-ethyl] 1-(4-methylphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: (2-oxo-2-ureido-ethyl) 1-(p-tolylsulfonyl)piperidine-4-carboxylate CAS Name: 1-(4-methylphenyl)sulfonyl-4-piperidinecarboxylic acid [2-(carbamoylamino)-2-oxoethyl] ester IUPAC Name: [2-(carbamoylamino)-2-oxoethyl] 1-(4-methylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-tosylisonipecotic acid (2-keto-2-ureido-ethyl) ester Formula: C16H21N3O6S MolecularWeight: 383.41944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OCC(=O)NC(=O)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OCC(=O)NC(=O)N

InChI

InChI=1S/C16H21N3O6S/c1-11-2-4-13(5-3-11)26(23,24)19-8-6-12(7-9-19)15(21)25-10-14(20)18-16(17)22/h2-5,12H,6-10H2,1H3,(H3,17,18,20,22)