[(2R)-1-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl] (2S)-2-(butylsulfonylamino)propanoate

Systemtic Name: [(2R)-1-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl] (2S)-2-(butylsulfonylamino)propanoate Openeye Name: [(1R)-2-(1H-indol-3-yl)-1-methyl-2-oxo-ethyl] (2S)-2-(butylsulfonylamino)propanoate CAS Name: (2S)-2-(butylsulfonylamino)propanoic acid [(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] (2S)-2-(butylsulfonylamino)propanoate Traditional Name: (2S)-2-(butylsulfonylamino)propionic acid [(1R)-2-(1H-indol-3-yl)-2-keto-1-methyl-ethyl] ester Formula: C18H24N2O5S MolecularWeight: 380.45856

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)NC(C)C(=O)OC(C)C(=O)C1=CNC2=CC=CC=C21

Isomeric SMILES

CCCCS(=O)(=O)N[C@@H](C)C(=O)O[C@H](C)C(=O)C1=CNC2=CC=CC=C21

InChI

InChI=1S/C18H24N2O5S/c1-4-5-10-26(23,24)20-12(2)18(22)25-13(3)17(21)15-11-19-16-9-7-6-8-14(15)16/h6-9,11-13,19-20H,4-5,10H2,1-3H3/t12-,13+/m0/s1