[3-[[1-adamantylcarbamoyl(furan-2-ylmethyl)amino]methyl]phenyl] ethanesulfonate

Systemtic Name: [3-[[1-adamantylcarbamoyl(furan-2-ylmethyl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [3-[[1-adamantylcarbamoyl(2-furylmethyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [3-[[[(1-adamantylamino)-oxomethyl]-(2-furanylmethyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[1-adamantylcarbamoyl(furan-2-ylmethyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [3-[[1-adamantylcarbamoyl(2-furfuryl)amino]methyl]phenyl] ester Formula: C25H32N2O5S MolecularWeight: 472.59698

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)OC1=CC=CC(=C1)CN(CC2=CC=CO2)C(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCS(=O)(=O)OC1=CC=CC(=C1)CN(CC2=CC=CO2)C(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H32N2O5S/c1-2-33(29,30)32-22-6-3-5-18(12-22)16-27(17-23-7-4-8-31-23)24(28)26-25-13-19-9-20(14-25)11-21(10-19)15-25/h3-8,12,19-21H,2,9-11,13-17H2,1H3,(H,26,28)