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

Systemtic Name: 2-ethyl-2-phenyl-3-(phenylsulfonylamino)octanoic acid Openeye Name: 3-(benzenesulfonamido)-2-ethyl-2-phenyl-octanoic acid CAS Name: 3-(benzenesulfonamido)-2-ethyl-2-phenyloctanoic acid IUPAC Name: 3-(benzenesulfonamido)-2-ethyl-2-phenyloctanoic acid Traditional Name: 3-(benzenesulfonamido)-2-ethyl-2-phenyl-caprylic acid Formula: C22H29NO4S MolecularWeight: 403.53496

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29NO4S/c1-3-5-8-17-20(23-28(26,27)19-15-11-7-12-16-19)22(4-2,21(24)25)18-13-9-6-10-14-18/h6-7,9-16,20,23H,3-5,8,17H2,1-2H3,(H,24,25)