[2-(1-adamantyl)-2-oxidanylidene-ethyl] 3-[(4-chlorophenyl)sulfonylamino]propanoate

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] 3-[(4-chlorophenyl)sulfonylamino]propanoate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] 3-[(4-chlorophenyl)sulfonylamino]propanoate CAS Name: 3-[(4-chlorophenyl)sulfonylamino]propanoic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] 3-[(4-chlorophenyl)sulfonylamino]propanoate Traditional Name: 3-[(4-chlorophenyl)sulfonylamino]propionic acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C21H26ClNO5S MolecularWeight: 439.95284

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H26ClNO5S/c22-17-1-3-18(4-2-17)29(26,27)23-6-5-20(25)28-13-19(24)21-10-14-7-15(11-21)9-16(8-14)12-21/h1-4,14-16,23H,5-13H2