5-[3-methyl-2-(11-sulfinoundecanoylamino)phenyl]sulfanylpentane-1-sulfonic acid

Systemtic Name: 5-[3-methyl-2-(11-sulfinoundecanoylamino)phenyl]sulfanylpentane-1-sulfonic acid Openeye Name: 5-[3-methyl-2-(11-sulfinoundecanoylamino)phenyl]sulfanylpentane-1-sulfonic acid CAS Name: 5-[[3-methyl-2-[(1-oxo-11-sulfinoundecyl)amino]phenyl]thio]-1-pentanesulfonic acid IUPAC Name: 5-[3-methyl-2-(11-sulfinoundecanoylamino)phenyl]sulfanylpentane-1-sulfonic acid Traditional Name: 5-[[3-methyl-2-(11-sulfinoundecanoylamino)phenyl]thio]pentane-1-sulfonic acid Formula: C23H39NO6S3 MolecularWeight: 521.75386

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)SCCCCCS(=O)(=O)O)NC(=O)CCCCCCCCCCS(=O)O

Isomeric SMILES

CC1=C(C(=CC=C1)SCCCCCS(=O)(=O)O)NC(=O)CCCCCCCCCCS(=O)O

InChI

InChI=1S/C23H39NO6S3/c1-20-14-13-15-21(31-17-10-8-12-19-33(28,29)30)23(20)24-22(25)16-9-6-4-2-3-5-7-11-18-32(26)27/h13-15H,2-12,16-19H2,1H3,(H,24,25)(H,26,27)(H,28,29,30)