(2S)-2-azanyl-4-methylsulfanyl-N-[(4-sulfamoylphenyl)methyl]butanamide

Systemtic Name: (2S)-2-azanyl-4-methylsulfanyl-N-[(4-sulfamoylphenyl)methyl]butanamide Openeye Name: (2S)-2-amino-4-methylsulfanyl-N-[(4-sulfamoylphenyl)methyl]butanamide CAS Name: (2S)-2-amino-4-(methylthio)-N-[(4-sulfamoylphenyl)methyl]butanamide IUPAC Name: (2S)-2-amino-4-methylsulfanyl-N-[(4-sulfamoylphenyl)methyl]butanamide Traditional Name: (2S)-2-amino-4-(methylthio)-N-(4-sulfamoylbenzyl)butyramide Formula: C12H19N3O3S2 MolecularWeight: 317.42756

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NCC1=CC=C(C=C1)S(=O)(=O)N)N

Isomeric SMILES

CSCC[C@@H](C(=O)NCC1=CC=C(C=C1)S(=O)(=O)N)N

InChI

InChI=1S/C12H19N3O3S2/c1-19-7-6-11(13)12(16)15-8-9-2-4-10(5-3-9)20(14,17)18/h2-5,11H,6-8,13H2,1H3,(H,15,16)(H2,14,17,18)/t11-/m0/s1