[1-(cyclohexylamino)-1-oxidanylidene-propan-2-yl] 3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoate

Systemtic Name: [1-(cyclohexylamino)-1-oxidanylidene-propan-2-yl] 3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoate Openeye Name: [2-(cyclohexylamino)-1-methyl-2-oxo-ethyl] 3-methyl-2-(p-tolylsulfonylamino)butanoate CAS Name: 3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoic acid [1-(cyclohexylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(cyclohexylamino)-1-oxopropan-2-yl] 3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoate Traditional Name: 3-methyl-2-(tosylamino)butyric acid [2-(cyclohexylamino)-2-keto-1-methyl-ethyl] ester Formula: C21H32N2O5S MolecularWeight: 424.55418

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(C(C)C)C(=O)OC(C)C(=O)NC2CCCCC2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(C(C)C)C(=O)OC(C)C(=O)NC2CCCCC2

InChI

InChI=1S/C21H32N2O5S/c1-14(2)19(23-29(26,27)18-12-10-15(3)11-13-18)21(25)28-16(4)20(24)22-17-8-6-5-7-9-17/h10-14,16-17,19,23H,5-9H2,1-4H3,(H,22,24)