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

Systemtic Name: (2S)-2-azanyl-4-methylsulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]butanamide Openeye Name: (2S)-2-amino-4-methylsulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]butanamide CAS Name: (2S)-2-amino-4-(methylthio)-N-[2-(4-sulfamoylphenyl)ethyl]butanamide IUPAC Name: (2S)-2-amino-4-methylsulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]butanamide Traditional Name: (2S)-2-amino-4-(methylthio)-N-[2-(4-sulfamoylphenyl)ethyl]butyramide Formula: C13H21N3O3S2 MolecularWeight: 331.45414

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NCCC1=CC=C(C=C1)S(=O)(=O)N)N

Isomeric SMILES

CSCC[C@@H](C(=O)NCCC1=CC=C(C=C1)S(=O)(=O)N)N

InChI

InChI=1S/C13H21N3O3S2/c1-20-9-7-12(14)13(17)16-8-6-10-2-4-11(5-3-10)21(15,18)19/h2-5,12H,6-9,14H2,1H3,(H,16,17)(H2,15,18,19)/t12-/m0/s1