2-ethyl-3-[(4-methylphenyl)sulfonylamino]-2-phenyl-octanoic acid

Systemtic Name: 2-ethyl-3-[(4-methylphenyl)sulfonylamino]-2-phenyl-octanoic acid Openeye Name: 2-ethyl-2-phenyl-3-(p-tolylsulfonylamino)octanoic acid CAS Name: 2-ethyl-3-[(4-methylphenyl)sulfonylamino]-2-phenyloctanoic acid IUPAC Name: 2-ethyl-3-[(4-methylphenyl)sulfonylamino]-2-phenyloctanoic acid Traditional Name: 2-ethyl-2-phenyl-3-(tosylamino)caprylic acid Formula: C23H31NO4S MolecularWeight: 417.56154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C(CC)(C1=CC=CC=C1)C(=O)O)NS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCCCCC(C(CC)(C1=CC=CC=C1)C(=O)O)NS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C23H31NO4S/c1-4-6-8-13-21(24-29(27,28)20-16-14-18(3)15-17-20)23(5-2,22(25)26)19-11-9-7-10-12-19/h7,9-12,14-17,21,24H,4-6,8,13H2,1-3H3,(H,25,26)