[2-(1-adamantyl)-2-oxidanylidene-ethyl] 2-[(4-fluorophenyl)sulfonyl-methyl-amino]ethanoate

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] 2-[(4-fluorophenyl)sulfonyl-methyl-amino]ethanoate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] 2-[(4-fluorophenyl)sulfonyl-methyl-amino]acetate CAS Name: 2-[(4-fluorophenyl)sulfonyl-methylamino]acetic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] 2-[(4-fluorophenyl)sulfonyl-methylamino]acetate Traditional Name: 2-[(4-fluorophenyl)sulfonyl-methyl-amino]acetic acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C21H26FNO5S MolecularWeight: 423.498243

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)OCC(=O)C12CC3CC(C1)CC(C3)C2)S(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

CN(CC(=O)OCC(=O)C12CC3CC(C1)CC(C3)C2)S(=O)(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H26FNO5S/c1-23(29(26,27)18-4-2-17(22)3-5-18)12-20(25)28-13-19(24)21-9-14-6-15(10-21)8-16(7-14)11-21/h2-5,14-16H,6-13H2,1H3