[3-(dimethylsulfamoyl)phenyl]methyl (2S)-3-methyl-2-[(3-methylphenyl)carbonylamino]butanoate

Systemtic Name: [3-(dimethylsulfamoyl)phenyl]methyl (2S)-3-methyl-2-[(3-methylphenyl)carbonylamino]butanoate Openeye Name: [3-(dimethylsulfamoyl)phenyl]methyl (2S)-3-methyl-2-[(3-methylbenzoyl)amino]butanoate CAS Name: (2S)-3-methyl-2-[[(3-methylphenyl)-oxomethyl]amino]butanoic acid [3-(dimethylsulfamoyl)phenyl]methyl ester IUPAC Name: [3-(dimethylsulfamoyl)phenyl]methyl (2S)-3-methyl-2-[(3-methylbenzoyl)amino]butanoate Traditional Name: (2S)-3-methyl-2-(m-toluoylamino)butyric acid [3-(dimethylsulfamoyl)benzyl] ester Formula: C22H28N2O5S MolecularWeight: 432.53312

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O5S/c1-15(2)20(23-21(25)18-10-6-8-16(3)12-18)22(26)29-14-17-9-7-11-19(13-17)30(27,28)24(4)5/h6-13,15,20H,14H2,1-5H3,(H,23,25)/t20-/m0/s1