[1-oxidanylidene-1-(propan-2-ylcarbamoylamino)propan-2-yl] 1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: [1-oxidanylidene-1-(propan-2-ylcarbamoylamino)propan-2-yl] 1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: [2-(isopropylcarbamoylamino)-1-methyl-2-oxo-ethyl] 1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(3,4-dimethylphenyl)sulfonyl-4-piperidinecarboxylic acid [1-oxo-1-[[oxo-(propan-2-ylamino)methyl]amino]propan-2-yl] ester IUPAC Name: [1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(3,4-dimethylphenyl)sulfonylisonipecotic acid [2-(isopropylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C21H31N3O6S MolecularWeight: 453.55234

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OC(C)C(=O)NC(=O)NC(C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OC(C)C(=O)NC(=O)NC(C)C)C

InChI

InChI=1S/C21H31N3O6S/c1-13(2)22-21(27)23-19(25)16(5)30-20(26)17-8-10-24(11-9-17)31(28,29)18-7-6-14(3)15(4)12-18/h6-7,12-13,16-17H,8-11H2,1-5H3,(H2,22,23,25,27)