[2-(cyclohexylcarbonylamino)-2-oxidanylidene-ethyl] (2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoate

Systemtic Name: [2-(cyclohexylcarbonylamino)-2-oxidanylidene-ethyl] (2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoate Openeye Name: [2-(cyclohexanecarbonylamino)-2-oxo-ethyl] (2S)-3-methyl-2-(p-tolylsulfonylamino)butanoate CAS Name: (2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoic acid [2-[[cyclohexyl(oxo)methyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(cyclohexanecarbonylamino)-2-oxoethyl] (2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoate Traditional Name: (2S)-3-methyl-2-(tosylamino)butyric acid [2-(cyclohexanecarbonylamino)-2-keto-ethyl] ester Formula: C21H30N2O6S MolecularWeight: 438.5377

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(C(C)C)C(=O)OCC(=O)NC(=O)C2CCCCC2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](C(C)C)C(=O)OCC(=O)NC(=O)C2CCCCC2

InChI

InChI=1S/C21H30N2O6S/c1-14(2)19(23-30(27,28)17-11-9-15(3)10-12-17)21(26)29-13-18(24)22-20(25)16-7-5-4-6-8-16/h9-12,14,16,19,23H,4-8,13H2,1-3H3,(H,22,24,25)/t19-/m0/s1