(2S)-2-[bis(fluoranyl)methylsulfonylamino]-3-(1H-indol-3-yl)propanoate

Systemtic Name: (2S)-2-[bis(fluoranyl)methylsulfonylamino]-3-(1H-indol-3-yl)propanoate Openeye Name: (2S)-2-(difluoromethylsulfonylamino)-3-(1H-indol-3-yl)propanoate CAS Name: (2S)-2-(difluoromethylsulfonylamino)-3-(1H-indol-3-yl)propanoate IUPAC Name: (2S)-2-(difluoromethylsulfonylamino)-3-(1H-indol-3-yl)propanoate Traditional Name: (2S)-2-(difluoromethylsulfonylamino)-3-(1H-indol-3-yl)propionate Formula: C12H11F2N2O4S- MolecularWeight: 317.288546

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)[O-])NS(=O)(=O)C(F)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)[O-])NS(=O)(=O)C(F)F

InChI

InChI=1S/C12H12F2N2O4S/c13-12(14)21(19,20)16-10(11(17)18)5-7-6-15-9-4-2-1-3-8(7)9/h1-4,6,10,12,15-16H,5H2,(H,17,18)/p-1/t10-/m0/s1