[2-(1-adamantylamino)-2-oxidanylidene-ethyl] (2S)-2-[(4-chlorophenyl)sulfonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] (2S)-2-[(4-chlorophenyl)sulfonylamino]-4-methylsulfanyl-butanoate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] (2S)-2-[(4-chlorophenyl)sulfonylamino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[(4-chlorophenyl)sulfonylamino]-4-(methylthio)butanoic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] (2S)-2-[(4-chlorophenyl)sulfonylamino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[(4-chlorophenyl)sulfonylamino]-4-(methylthio)butyric acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C23H31ClN2O5S2 MolecularWeight: 515.08564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CSCC[C@@H](C(=O)OCC(=O)NC12CC3CC(C1)CC(C3)C2)NS(=O)(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C23H31ClN2O5S2/c1-32-7-6-20(26-33(29,30)19-4-2-18(24)3-5-19)22(28)31-14-21(27)25-23-11-15-8-16(12-23)10-17(9-15)13-23/h2-5,15-17,20,26H,6-14H2,1H3,(H,25,27)/t15?,16?,17?,20-,23?/m0/s1