[2-(1-adamantylamino)-2-oxidanylidene-ethyl] 3-(naphthalen-2-ylsulfonylamino)propanoate

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 3-(naphthalen-2-ylsulfonylamino)propanoate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 3-(2-naphthylsulfonylamino)propanoate CAS Name: 3-(2-naphthalenylsulfonylamino)propanoic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 3-(naphthalen-2-ylsulfonylamino)propanoate Traditional Name: 3-(2-naphthylsulfonylamino)propionic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C25H30N2O5S MolecularWeight: 470.5811

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)COC(=O)CCNS(=O)(=O)C4=CC5=CC=CC=C5C=C4

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)COC(=O)CCNS(=O)(=O)C4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C25H30N2O5S/c28-23(27-25-13-17-9-18(14-25)11-19(10-17)15-25)16-32-24(29)7-8-26-33(30,31)22-6-5-20-3-1-2-4-21(20)12-22/h1-6,12,17-19,26H,7-11,13-16H2,(H,27,28)