(2S)-2-azanyl-4-methylsulfanyl-N-(1-methylsulfonyl-2,3-dihydroindol-6-yl)butanamide

Systemtic Name: (2S)-2-azanyl-4-methylsulfanyl-N-(1-methylsulfonyl-2,3-dihydroindol-6-yl)butanamide Openeye Name: (2S)-2-amino-4-methylsulfanyl-N-(1-methylsulfonylindolin-6-yl)butanamide CAS Name: (2S)-2-amino-N-(1-methylsulfonyl-2,3-dihydroindol-6-yl)-4-(methylthio)butanamide IUPAC Name: (2S)-2-amino-4-methylsulfanyl-N-(1-methylsulfonyl-2,3-dihydroindol-6-yl)butanamide Traditional Name: (2S)-2-amino-N-(1-mesylindolin-6-yl)-4-(methylthio)butyramide Formula: C14H21N3O3S2 MolecularWeight: 343.46484

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NC1=CC2=C(CCN2S(=O)(=O)C)C=C1)N

Isomeric SMILES

CSCC[C@@H](C(=O)NC1=CC2=C(CCN2S(=O)(=O)C)C=C1)N

InChI

InChI=1S/C14H21N3O3S2/c1-21-8-6-12(15)14(18)16-11-4-3-10-5-7-17(13(10)9-11)22(2,19)20/h3-4,9,12H,5-8,15H2,1-2H3,(H,16,18)/t12-/m0/s1