methanesulfonic acid; 2-methyl-2-(naphtho[2,1-b][1]benzofuran-5-ylmethylamino)propane-1,3-diol

Systemtic Name: methanesulfonic acid; 2-methyl-2-(naphtho[2,1-b][1]benzofuran-5-ylmethylamino)propane-1,3-diol Openeye Name: methanesulfonic acid; 2-methyl-2-(naphtho[2,1-b]benzofuran-5-ylmethylamino)propane-1,3-diol CAS Name: methanesulfonic acid; 2-methyl-2-(5-naphtho[2,1-b]benzofuranylmethylamino)propane-1,3-diol IUPAC Name: methanesulfonic acid; 2-methyl-2-(naphtho[2,1-b][1]benzofuran-5-ylmethylamino)propane-1,3-diol Traditional Name: mesylic acid; 2-methyl-2-(naphtho[2,1-b]benzofuran-5-ylmethylamino)propane-1,3-diol Formula: C22H25NO6S MolecularWeight: 431.502

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CO)(CO)NCC1=CC2=C(C3=CC=CC=C31)C4=CC=CC=C4O2.CS(=O)(=O)O

Isomeric SMILES

CC(CO)(CO)NCC1=CC2=C(C3=CC=CC=C31)C4=CC=CC=C4O2.CS(=O)(=O)O

InChI

InChI=1S/C21H21NO3.CH4O3S/c1-21(12-23,13-24)22-11-14-10-19-20(16-7-3-2-6-15(14)16)17-8-4-5-9-18(17)25-19;1-5(2,3)4/h2-10,22-24H,11-13H2,1H3;1H3,(H,2,3,4)