2-azanyl-N-(4-methylsulfanylphenyl)-4-methylsulfonyl-butanamide

Systemtic Name: 2-azanyl-N-(4-methylsulfanylphenyl)-4-methylsulfonyl-butanamide Openeye Name: 2-amino-N-(4-methylsulfanylphenyl)-4-methylsulfonyl-butanamide CAS Name: 2-amino-4-methylsulfonyl-N-[4-(methylthio)phenyl]butanamide IUPAC Name: 2-amino-N-(4-methylsulfanylphenyl)-4-methylsulfonylbutanamide Traditional Name: 2-amino-4-mesyl-N-[4-(methylthio)phenyl]butyramide Formula: C12H18N2O3S2 MolecularWeight: 302.41292

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)NC(=O)C(CCS(=O)(=O)C)N

Isomeric SMILES

CSC1=CC=C(C=C1)NC(=O)C(CCS(=O)(=O)C)N

InChI

InChI=1S/C12H18N2O3S2/c1-18-10-5-3-9(4-6-10)14-12(15)11(13)7-8-19(2,16)17/h3-6,11H,7-8,13H2,1-2H3,(H,14,15)