(2S,4R)-4-ethoxycarbonyl-2-(phenylsulfonylamino)hexanoic acid

Systemtic Name: (2S,4R)-4-ethoxycarbonyl-2-(phenylsulfonylamino)hexanoic acid Openeye Name: (2S,4R)-2-(benzenesulfonamido)-4-ethoxycarbonyl-hexanoic acid CAS Name: (2S,4R)-2-(benzenesulfonamido)-4-ethoxycarbonylhexanoic acid IUPAC Name: (2S,4R)-2-(benzenesulfonamido)-4-ethoxycarbonylhexanoic acid Traditional Name: (2S,4R)-2-(benzenesulfonamido)-4-carbethoxy-hexanoic acid Formula: C15H21NO6S MolecularWeight: 343.39534

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(C(=O)O)NS(=O)(=O)C1=CC=CC=C1)C(=O)OCC

Isomeric SMILES

CC[C@H](C[C@@H](C(=O)O)NS(=O)(=O)C1=CC=CC=C1)C(=O)OCC

InChI

InChI=1S/C15H21NO6S/c1-3-11(15(19)22-4-2)10-13(14(17)18)16-23(20,21)12-8-6-5-7-9-12/h5-9,11,13,16H,3-4,10H2,1-2H3,(H,17,18)/t11-,13+/m1/s1