[2-(1-adamantyl)-2-oxidanylidene-ethyl] (2S)-2-[(4-fluorophenyl)sulfonylamino]propanoate

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] (2S)-2-[(4-fluorophenyl)sulfonylamino]propanoate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] (2S)-2-[(4-fluorophenyl)sulfonylamino]propanoate CAS Name: (2S)-2-[(4-fluorophenyl)sulfonylamino]propanoic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] (2S)-2-[(4-fluorophenyl)sulfonylamino]propanoate Traditional Name: (2S)-2-[(4-fluorophenyl)sulfonylamino]propionic acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C21H26FNO5S MolecularWeight: 423.498243

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@@H](C(=O)OCC(=O)C12CC3CC(C1)CC(C3)C2)NS(=O)(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H26FNO5S/c1-13(23-29(26,27)18-4-2-17(22)3-5-18)20(25)28-12-19(24)21-9-14-6-15(10-21)8-16(7-14)11-21/h2-5,13-16,23H,6-12H2,1H3/t13-,14?,15?,16?,21?/m0/s1