[2-(1-adamantyl)-2-oxidanylidene-ethyl] 3-[(3-chloranyl-4-fluoranyl-phenyl)sulfonylamino]propanoate

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] 3-[(3-chloranyl-4-fluoranyl-phenyl)sulfonylamino]propanoate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] 3-[(3-chloro-4-fluoro-phenyl)sulfonylamino]propanoate CAS Name: 3-[(3-chloro-4-fluorophenyl)sulfonylamino]propanoic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] 3-[(3-chloro-4-fluorophenyl)sulfonylamino]propanoate Traditional Name: 3-[(3-chloro-4-fluoro-phenyl)sulfonylamino]propionic acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C21H25ClFNO5S MolecularWeight: 457.943303

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)COC(=O)CCNS(=O)(=O)C4=CC(=C(C=C4)F)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)COC(=O)CCNS(=O)(=O)C4=CC(=C(C=C4)F)Cl

InChI

InChI=1S/C21H25ClFNO5S/c22-17-8-16(1-2-18(17)23)30(27,28)24-4-3-20(26)29-12-19(25)21-9-13-5-14(10-21)7-15(6-13)11-21/h1-2,8,13-15,24H,3-7,9-12H2