[2-(1-adamantyl)-2-oxidanylidene-ethyl] 3-methyl-2-(phenylsulfonylamino)butanoate

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] 3-methyl-2-(phenylsulfonylamino)butanoate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] 2-(benzenesulfonamido)-3-methyl-butanoate CAS Name: 2-(benzenesulfonamido)-3-methylbutanoic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] 2-(benzenesulfonamido)-3-methylbutanoate Traditional Name: 2-(benzenesulfonamido)-3-methyl-butyric acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C23H31NO5S MolecularWeight: 433.56094

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31NO5S/c1-15(2)21(24-30(27,28)19-6-4-3-5-7-19)22(26)29-14-20(25)23-11-16-8-17(12-23)10-18(9-16)13-23/h3-7,15-18,21,24H,8-14H2,1-2H3