N-[(11S)-11-[(4R)-4-ethyl-4,5-dihydro-1,3-oxazol-2-yl]tetradec-13-enyl]benzenesulfonamide

Systemtic Name: N-[(11S)-11-[(4R)-4-ethyl-4,5-dihydro-1,3-oxazol-2-yl]tetradec-13-enyl]benzenesulfonamide Openeye Name: N-[(11S)-11-[(4R)-4-ethyl-4,5-dihydrooxazol-2-yl]tetradec-13-enyl]benzenesulfonamide CAS Name: N-[(11S)-11-[(4R)-4-ethyl-4,5-dihydrooxazol-2-yl]tetradec-13-enyl]benzenesulfonamide IUPAC Name: N-[(11S)-11-[(4R)-4-ethyl-4,5-dihydro-1,3-oxazol-2-yl]tetradec-13-enyl]benzenesulfonamide Traditional Name: N-[(11S)-11-[(4R)-4-ethyl-2-oxazolin-2-yl]tetradec-13-enyl]benzenesulfonamide Formula: C25H40N2O3S MolecularWeight: 448.6617

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1COC(=N1)C(CCCCCCCCCCNS(=O)(=O)C2=CC=CC=C2)CC=C

Isomeric SMILES

CC[C@@H]1COC(=N1)[C@@H](CCCCCCCCCCNS(=O)(=O)C2=CC=CC=C2)CC=C

InChI

InChI=1S/C25H40N2O3S/c1-3-16-22(25-27-23(4-2)21-30-25)17-12-9-7-5-6-8-10-15-20-26-31(28,29)24-18-13-11-14-19-24/h3,11,13-14,18-19,22-23,26H,1,4-10,12,15-17,20-21H2,2H3/t22-,23-/m1/s1