(2S)-3-methyl-2-[[4-(methylsulfonylamino)phenyl]carbonylamino]butanoate

Systemtic Name: (2S)-3-methyl-2-[[4-(methylsulfonylamino)phenyl]carbonylamino]butanoate Openeye Name: (2S)-2-[[4-(methanesulfonamido)benzoyl]amino]-3-methyl-butanoate CAS Name: (2S)-2-[[[4-(methanesulfonamido)phenyl]-oxomethyl]amino]-3-methylbutanoate IUPAC Name: (2S)-2-[[4-(methanesulfonamido)benzoyl]amino]-3-methylbutanoate Traditional Name: (2S)-2-[[4-(methanesulfonamido)benzoyl]amino]-3-methyl-butyrate Formula: C13H17N2O5S- MolecularWeight: 313.34948

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)[O-])NC(=O)C1=CC=C(C=C1)NS(=O)(=O)C

Isomeric SMILES

CC(C)[C@@H](C(=O)[O-])NC(=O)C1=CC=C(C=C1)NS(=O)(=O)C

InChI

InChI=1S/C13H18N2O5S/c1-8(2)11(13(17)18)14-12(16)9-4-6-10(7-5-9)15-21(3,19)20/h4-8,11,15H,1-3H3,(H,14,16)(H,17,18)/p-1/t11-/m0/s1