2-azanyl-4-methylsulfanyl-N-(phenylmethyl)sulfonyl-butanamide

Systemtic Name: 2-azanyl-4-methylsulfanyl-N-(phenylmethyl)sulfonyl-butanamide Openeye Name: 2-amino-N-benzylsulfonyl-4-methylsulfanyl-butanamide CAS Name: 2-amino-4-(methylthio)-N-(phenylmethyl)sulfonylbutanamide IUPAC Name: 2-amino-N-benzylsulfonyl-4-methylsulfanylbutanamide Traditional Name: 2-amino-N-benzylsulfonyl-4-(methylthio)butyramide Formula: C12H18N2O3S2 MolecularWeight: 302.41292

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NS(=O)(=O)CC1=CC=CC=C1)N

Isomeric SMILES

CSCCC(C(=O)NS(=O)(=O)CC1=CC=CC=C1)N

InChI

InChI=1S/C12H18N2O3S2/c1-18-8-7-11(13)12(15)14-19(16,17)9-10-5-3-2-4-6-10/h2-6,11H,7-9,13H2,1H3,(H,14,15)