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

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] 3-[(4-methylphenyl)sulfonylamino]propanoate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] 3-(p-tolylsulfonylamino)propanoate CAS Name: 3-[(4-methylphenyl)sulfonylamino]propanoic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] 3-[(4-methylphenyl)sulfonylamino]propanoate Traditional Name: 3-(tosylamino)propionic acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C22H29NO5S MolecularWeight: 419.53436

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OCC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OCC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C22H29NO5S/c1-15-2-4-19(5-3-15)29(26,27)23-7-6-21(25)28-14-20(24)22-11-16-8-17(12-22)10-18(9-16)13-22/h2-5,16-18,23H,6-14H2,1H3