N-[1-(furan-2-ylmethylamino)-3-methyl-1-oxidanylidene-butan-2-yl]-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[1-(furan-2-ylmethylamino)-3-methyl-1-oxidanylidene-butan-2-yl]-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[1-(2-furylmethylcarbamoyl)-2-methyl-propyl]-1-(p-tolylsulfonyl)piperidine-4-carboxamide CAS Name: N-[1-(2-furanylmethylamino)-3-methyl-1-oxobutan-2-yl]-1-(4-methylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[1-(furan-2-ylmethylamino)-3-methyl-1-oxobutan-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[1-(2-furfurylcarbamoyl)-2-methyl-propyl]-1-tosyl-isonipecotamide Formula: C23H31N3O5S MolecularWeight: 461.57434

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31N3O5S/c1-16(2)21(23(28)24-15-19-5-4-14-31-19)25-22(27)18-10-12-26(13-11-18)32(29,30)20-8-6-17(3)7-9-20/h4-9,14,16,18,21H,10-13,15H2,1-3H3,(H,24,28)(H,25,27)