[(2R)-1-[4-(methylsulfonylamino)phenyl]-1-oxidanylidene-propan-2-yl] 3-(1H-indol-3-yl)propanoate

Systemtic Name: [(2R)-1-[4-(methylsulfonylamino)phenyl]-1-oxidanylidene-propan-2-yl] 3-(1H-indol-3-yl)propanoate Openeye Name: [(1R)-2-[4-(methanesulfonamido)phenyl]-1-methyl-2-oxo-ethyl] 3-(1H-indol-3-yl)propanoate CAS Name: 3-(1H-indol-3-yl)propanoic acid [(2R)-1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 3-(1H-indol-3-yl)propanoate Traditional Name: 3-(1H-indol-3-yl)propionic acid [(1R)-2-keto-2-[4-(methanesulfonamido)phenyl]-1-methyl-ethyl] ester Formula: C21H22N2O5S MolecularWeight: 414.47478

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=C(C=C1)NS(=O)(=O)C)OC(=O)CCC2=CNC3=CC=CC=C32

Isomeric SMILES

C[C@H](C(=O)C1=CC=C(C=C1)NS(=O)(=O)C)OC(=O)CCC2=CNC3=CC=CC=C32

InChI

InChI=1S/C21H22N2O5S/c1-14(21(25)15-7-10-17(11-8-15)23-29(2,26)27)28-20(24)12-9-16-13-22-19-6-4-3-5-18(16)19/h3-8,10-11,13-14,22-23H,9,12H2,1-2H3/t14-/m1/s1