(2,2-dimethyl-3-oxidanyl-propyl) (2R)-2-[1-(phenylsulfonyl)indol-3-yl]propanoate

Systemtic Name: (2,2-dimethyl-3-oxidanyl-propyl) (2R)-2-[1-(phenylsulfonyl)indol-3-yl]propanoate Openeye Name: (3-hydroxy-2,2-dimethyl-propyl) (2R)-2-[1-(benzenesulfonyl)indol-3-yl]propanoate CAS Name: (2R)-2-[1-(benzenesulfonyl)-3-indolyl]propanoic acid (3-hydroxy-2,2-dimethylpropyl) ester IUPAC Name: (3-hydroxy-2,2-dimethylpropyl) (2R)-2-[1-(benzenesulfonyl)indol-3-yl]propanoate Traditional Name: (2R)-2-(1-besylindol-3-yl)propionic acid (3-hydroxy-2,2-dimethyl-propyl) ester Formula: C22H25NO5S MolecularWeight: 415.5026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CN(C2=CC=CC=C21)S(=O)(=O)C3=CC=CC=C3)C(=O)OCC(C)(C)CO

Isomeric SMILES

C[C@H](C1=CN(C2=CC=CC=C21)S(=O)(=O)C3=CC=CC=C3)C(=O)OCC(C)(C)CO

InChI

InChI=1S/C22H25NO5S/c1-16(21(25)28-15-22(2,3)14-24)19-13-23(20-12-8-7-11-18(19)20)29(26,27)17-9-5-4-6-10-17/h4-13,16,24H,14-15H2,1-3H3/t16-/m1/s1