[2-(1-adamantyl)-2-oxidanylidene-ethyl] 2-[(2-methylphenyl)-methylsulfonyl-amino]ethanoate

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] 2-[(2-methylphenyl)-methylsulfonyl-amino]ethanoate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] 2-(2-methyl-N-methylsulfonyl-anilino)acetate CAS Name: 2-(2-methyl-N-methylsulfonylanilino)acetic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] 2-(2-methyl-N-methylsulfonylanilino)acetate Traditional Name: 2-(N-mesyl-2-methyl-anilino)acetic 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=CC=C1N(CC(=O)OCC(=O)C23CC4CC(C2)CC(C4)C3)S(=O)(=O)C

Isomeric SMILES

CC1=CC=CC=C1N(CC(=O)OCC(=O)C23CC4CC(C2)CC(C4)C3)S(=O)(=O)C

InChI

InChI=1S/C22H29NO5S/c1-15-5-3-4-6-19(15)23(29(2,26)27)13-21(25)28-14-20(24)22-10-16-7-17(11-22)9-18(8-16)12-22/h3-6,16-18H,7-14H2,1-2H3