methanesulfonic acid; 2-methyl-2-(naphtho[1,2-f][1]benzothiol-7-ylmethylamino)propane-1,3-diol

Systemtic Name: methanesulfonic acid; 2-methyl-2-(naphtho[1,2-f][1]benzothiol-7-ylmethylamino)propane-1,3-diol Openeye Name: methanesulfonic acid; 2-methyl-2-(naphtho[1,2-f]benzothiophen-7-ylmethylamino)propane-1,3-diol CAS Name: methanesulfonic acid; 2-methyl-2-(7-naphtho[1,2-f][1]benzothiolylmethylamino)propane-1,3-diol IUPAC Name: methanesulfonic acid; 2-methyl-2-(naphtho[1,2-f][1]benzothiol-7-ylmethylamino)propane-1,3-diol Traditional Name: mesylic acid; 2-methyl-2-(naphtho[1,2-f]benzothiophen-7-ylmethylamino)propane-1,3-diol Formula: C22H25NO5S2 MolecularWeight: 447.5676

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Descriptors Computed from Structure

Canonical SMILES:

CC(CO)(CO)NCC1=C2C(=CC3=C1C=CC4=CC=CC=C43)C=CS2.CS(=O)(=O)O

Isomeric SMILES

CC(CO)(CO)NCC1=C2C(=CC3=C1C=CC4=CC=CC=C43)C=CS2.CS(=O)(=O)O

InChI

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