methanesulfonic acid; 2-methyl-2-(naphtho[2,1-b][1]benzothiol-10-ylmethylamino)propane-1,3-diol

Systemtic Name: methanesulfonic acid; 2-methyl-2-(naphtho[2,1-b][1]benzothiol-10-ylmethylamino)propane-1,3-diol Openeye Name: methanesulfonic acid; 2-methyl-2-(naphtho[2,1-b]benzothiophen-10-ylmethylamino)propane-1,3-diol CAS Name: methanesulfonic acid; 2-methyl-2-(10-naphtho[2,1-b][1]benzothiolylmethylamino)propane-1,3-diol IUPAC Name: methanesulfonic acid; 2-methyl-2-(naphtho[2,1-b][1]benzothiol-10-ylmethylamino)propane-1,3-diol Traditional Name: mesylic acid; 2-methyl-2-(naphtho[2,1-b]benzothiophen-10-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(C=C1)SC3=C2C4=CC=CC=C4C=C3.CS(=O)(=O)O

Isomeric SMILES

CC(CO)(CO)NCC1=CC2=C(C=C1)SC3=C2C4=CC=CC=C4C=C3.CS(=O)(=O)O

InChI

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