N-[2-(furan-2-ylcarbonylamino)ethyl]-1-(2,4,6-trimethylphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[2-(furan-2-ylcarbonylamino)ethyl]-1-(2,4,6-trimethylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[2-(furan-2-carbonylamino)ethyl]-1-(2,4,6-trimethylphenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-[2-[[2-furanyl(oxo)methyl]amino]ethyl]-1-(2,4,6-trimethylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[2-(furan-2-carbonylamino)ethyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[2-(2-furoylamino)ethyl]-1-mesitylsulfonyl-isonipecotamide Formula: C22H29N3O5S MolecularWeight: 447.54776

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCC(CC2)C(=O)NCCNC(=O)C3=CC=CO3)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCC(CC2)C(=O)NCCNC(=O)C3=CC=CO3)C

InChI

InChI=1S/C22H29N3O5S/c1-15-13-16(2)20(17(3)14-15)31(28,29)25-10-6-18(7-11-25)21(26)23-8-9-24-22(27)19-5-4-12-30-19/h4-5,12-14,18H,6-11H2,1-3H3,(H,23,26)(H,24,27)