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

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 3-methyl-2-(phenylsulfonylamino)butanoate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 2-(benzenesulfonamido)-3-methyl-butanoate CAS Name: 2-(benzenesulfonamido)-3-methylbutanoic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 2-(benzenesulfonamido)-3-methylbutanoate Traditional Name: 2-(benzenesulfonamido)-3-methyl-butyric acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C23H32N2O5S MolecularWeight: 448.57558

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)NC12CC3CC(C1)CC(C3)C2)NS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC(C)C(C(=O)OCC(=O)NC12CC3CC(C1)CC(C3)C2)NS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C23H32N2O5S/c1-15(2)21(25-31(28,29)19-6-4-3-5-7-19)22(27)30-14-20(26)24-23-11-16-8-17(12-23)10-18(9-16)13-23/h3-7,15-18,21,25H,8-14H2,1-2H3,(H,24,26)