[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl] 4-piperidin-1-yl-3-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: [2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl] 4-piperidin-1-yl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: [2-(2-furylmethylamino)-2-oxo-ethyl] 4-(1-piperidyl)-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-(1-piperidinyl)-3-(1-piperidinylsulfonyl)benzoic acid [2-(2-furanylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(furan-2-ylmethylamino)-2-oxoethyl] 4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-piperidino-3-piperidinosulfonyl-benzoic acid [2-(2-furfurylamino)-2-keto-ethyl] ester Formula: C24H31N3O6S MolecularWeight: 489.58444

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCC(=O)NCC3=CC=CO3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCC(=O)NCC3=CC=CO3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C24H31N3O6S/c28-23(25-17-20-8-7-15-32-20)18-33-24(29)19-9-10-21(26-11-3-1-4-12-26)22(16-19)34(30,31)27-13-5-2-6-14-27/h7-10,15-16H,1-6,11-14,17-18H2,(H,25,28)