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

Systemtic Name: methanesulfonic acid; 2-methyl-2-(naphtho[1,2-b][1]benzothiol-5-ylmethylamino)propane-1,3-diol Openeye Name: methanesulfonic acid; 2-methyl-2-(naphtho[1,2-b]benzothiophen-5-ylmethylamino)propane-1,3-diol CAS Name: methanesulfonic acid; 2-methyl-2-(5-naphtho[1,2-b][1]benzothiolylmethylamino)propane-1,3-diol IUPAC Name: methanesulfonic acid; 2-methyl-2-(naphtho[1,2-b][1]benzothiol-5-ylmethylamino)propane-1,3-diol Traditional Name: mesylic acid; 2-methyl-2-(naphtho[1,2-b]benzothiophen-5-ylmethylamino)propane-1,3-diol Formula: C22H25NO5S2 MolecularWeight: 447.5676

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Descriptors Computed from Structure

Canonical SMILES:

CC(CO)(CO)NCC1=CC2=C(C3=CC=CC=C31)SC4=CC=CC=C42.CS(=O)(=O)O

Isomeric SMILES

CC(CO)(CO)NCC1=CC2=C(C3=CC=CC=C31)SC4=CC=CC=C42.CS(=O)(=O)O

InChI

InChI=1S/C21H21NO2S.CH4O3S/c1-21(12-23,13-24)22-11-14-10-18-16-7-4-5-9-19(16)25-20(18)17-8-3-2-6-15(14)17;1-5(2,3)4/h2-10,22-24H,11-13H2,1H3;1H3,(H,2,3,4)