2-ethyl-2-(3-methylphenyl)-3-(phenylsulfonylamino)octanoic acid

Systemtic Name: 2-ethyl-2-(3-methylphenyl)-3-(phenylsulfonylamino)octanoic acid Openeye Name: 3-(benzenesulfonamido)-2-ethyl-2-(m-tolyl)octanoic acid CAS Name: 3-(benzenesulfonamido)-2-ethyl-2-(3-methylphenyl)octanoic acid IUPAC Name: 3-(benzenesulfonamido)-2-ethyl-2-(3-methylphenyl)octanoic acid Traditional Name: 3-(benzenesulfonamido)-2-ethyl-2-(m-tolyl)caprylic acid Formula: C23H31NO4S MolecularWeight: 417.56154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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