methyl 4-[[(2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoyl]oxymethyl]benzoate

Systemtic Name: methyl 4-[[(2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoyl]oxymethyl]benzoate Openeye Name: methyl 4-[[(2S)-3-methyl-2-(p-tolylsulfonylamino)butanoyl]oxymethyl]benzoate CAS Name: 4-[[(2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]-1-oxobutoxy]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoyl]oxymethyl]benzoate Traditional Name: 4-[[(2S)-3-methyl-2-(tosylamino)butanoyl]oxymethyl]benzoic acid methyl ester Formula: C21H25NO6S MolecularWeight: 419.4913

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(C(C)C)C(=O)OCC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](C(C)C)C(=O)OCC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C21H25NO6S/c1-14(2)19(22-29(25,26)18-11-5-15(3)6-12-18)21(24)28-13-16-7-9-17(10-8-16)20(23)27-4/h5-12,14,19,22H,13H2,1-4H3/t19-/m0/s1