[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxidanylidene-ethyl] 3-(phenylsulfonylmethyl)furan-2-carboxylate

Systemtic Name: [2-[2-(cyclohexen-1-yl)ethylamino]-2-oxidanylidene-ethyl] 3-(phenylsulfonylmethyl)furan-2-carboxylate Openeye Name: [2-[2-(cyclohexen-1-yl)ethylamino]-2-oxo-ethyl] 3-(benzenesulfonylmethyl)furan-2-carboxylate CAS Name: 3-(benzenesulfonylmethyl)-2-furancarboxylic acid [2-[2-(1-cyclohexenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl] 3-(benzenesulfonylmethyl)furan-2-carboxylate Traditional Name: 3-(besylmethyl)furan-2-carboxylic acid [2-[2-(cyclohexen-1-yl)ethylamino]-2-keto-ethyl] ester Formula: C22H25NO6S MolecularWeight: 431.502

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)CCNC(=O)COC(=O)C2=C(C=CO2)CS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CCC(=CC1)CCNC(=O)COC(=O)C2=C(C=CO2)CS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H25NO6S/c24-20(23-13-11-17-7-3-1-4-8-17)15-29-22(25)21-18(12-14-28-21)16-30(26,27)19-9-5-2-6-10-19/h2,5-7,9-10,12,14H,1,3-4,8,11,13,15-16H2,(H,23,24)