[(2R)-1-(1-adamantyl)-1-oxidanylidene-propan-2-yl] 2-(naphthalen-2-ylsulfonylamino)ethanoate

Systemtic Name: [(2R)-1-(1-adamantyl)-1-oxidanylidene-propan-2-yl] 2-(naphthalen-2-ylsulfonylamino)ethanoate Openeye Name: [(1R)-2-(1-adamantyl)-1-methyl-2-oxo-ethyl] 2-(2-naphthylsulfonylamino)acetate CAS Name: 2-(2-naphthalenylsulfonylamino)acetic acid [(2R)-1-(1-adamantyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(1-adamantyl)-1-oxopropan-2-yl] 2-(naphthalen-2-ylsulfonylamino)acetate Traditional Name: 2-(2-naphthylsulfonylamino)acetic acid [(1R)-2-(1-adamantyl)-2-keto-1-methyl-ethyl] ester Formula: C25H29NO5S MolecularWeight: 455.56646

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C12CC3CC(C1)CC(C3)C2)OC(=O)CNS(=O)(=O)C4=CC5=CC=CC=C5C=C4

Isomeric SMILES

C[C@H](C(=O)C12CC3CC(C1)CC(C3)C2)OC(=O)CNS(=O)(=O)C4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C25H29NO5S/c1-16(24(28)25-12-17-8-18(13-25)10-19(9-17)14-25)31-23(27)15-26-32(29,30)22-7-6-20-4-2-3-5-21(20)11-22/h2-7,11,16-19,26H,8-10,12-15H2,1H3/t16-,17?,18?,19?,25?/m1/s1