[2-(furan-2-ylmethylcarbamoylamino)-2-oxidanylidene-ethyl] 1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: [2-(furan-2-ylmethylcarbamoylamino)-2-oxidanylidene-ethyl] 1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: [2-(2-furylmethylcarbamoylamino)-2-oxo-ethyl] 1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(2,4,6-trimethylphenyl)sulfonyl-4-piperidinecarboxylic acid [2-[[(2-furanylmethylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-mesitylsulfonylisonipecotic acid [2-(2-furfurylcarbamoylamino)-2-keto-ethyl] ester Formula: C23H29N3O7S MolecularWeight: 491.55726

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCC(CC2)C(=O)OCC(=O)NC(=O)NCC3=CC=CO3)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCC(CC2)C(=O)OCC(=O)NC(=O)NCC3=CC=CO3)C

InChI

InChI=1S/C23H29N3O7S/c1-15-11-16(2)21(17(3)12-15)34(30,31)26-8-6-18(7-9-26)22(28)33-14-20(27)25-23(29)24-13-19-5-4-10-32-19/h4-5,10-12,18H,6-9,13-14H2,1-3H3,(H2,24,25,27,29)