1-methylsulfinylicosan-5-ylcarbamic acid

Systemtic Name: 1-methylsulfinylicosan-5-ylcarbamic acid Openeye Name: 1-(4-methylsulfinylbutyl)hexadecylcarbamic acid CAS Name: 1-methylsulfinyleicosan-5-ylcarbamic acid IUPAC Name: 1-methylsulfinylicosan-5-ylcarbamic acid Traditional Name: 1-(4-methylsulfinylbutyl)hexadecylcarbamic acid Formula: C22H45NO3S MolecularWeight: 403.6626

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(CCCCS(=O)C)NC(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCC(CCCCS(=O)C)NC(=O)O

InChI

InChI=1S/C22H45NO3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-21(23-22(24)25)19-16-17-20-27(2)26/h21,23H,3-20H2,1-2H3,(H,24,25)