phenyl 2-ethyl-3-(phenylsulfonylamino)octanoate

Systemtic Name: phenyl 2-ethyl-3-(phenylsulfonylamino)octanoate Openeye Name: phenyl 3-(benzenesulfonamido)-2-ethyl-octanoate CAS Name: 3-(benzenesulfonamido)-2-ethyloctanoic acid phenyl ester IUPAC Name: phenyl 3-(benzenesulfonamido)-2-ethyloctanoate Traditional Name: 3-(benzenesulfonamido)-2-ethyl-caprylic acid phenyl ester Formula: C22H29NO4S MolecularWeight: 403.53496

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C(CC)C(=O)OC1=CC=CC=C1)NS(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CCCCCC(C(CC)C(=O)OC1=CC=CC=C1)NS(=O)(=O)C2=CC=CC=C2

InChI

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