methanesulfonic acid; 2-methyl-2-[(10-methylthieno[3,2-a]carbazol-2-yl)methylamino]propane-1,3-diol

Systemtic Name: methanesulfonic acid; 2-methyl-2-[(10-methylthieno[3,2-a]carbazol-2-yl)methylamino]propane-1,3-diol Openeye Name: methanesulfonic acid; 2-methyl-2-[(10-methylthieno[3,2-a]carbazol-2-yl)methylamino]propane-1,3-diol CAS Name: methanesulfonic acid; 2-methyl-2-[(10-methyl-2-thieno[3,2-a]carbazolyl)methylamino]propane-1,3-diol IUPAC Name: methanesulfonic acid; 2-methyl-2-[(10-methylthieno[3,2-a]carbazol-2-yl)methylamino]propane-1,3-diol Traditional Name: mesylic acid; 2-methyl-2-[(10-methylthieno[3,2-a]carbazol-2-yl)methylamino]propane-1,3-diol Formula: C21H26N2O5S2 MolecularWeight: 450.57154

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Descriptors Computed from Structure

Canonical SMILES:

CC(CO)(CO)NCC1=CC2=C(S1)C=CC3=C2N(C4=CC=CC=C34)C.CS(=O)(=O)O

Isomeric SMILES

CC(CO)(CO)NCC1=CC2=C(S1)C=CC3=C2N(C4=CC=CC=C34)C.CS(=O)(=O)O

InChI

InChI=1S/C20H22N2O2S.CH4O3S/c1-20(11-23,12-24)21-10-13-9-16-18(25-13)8-7-15-14-5-3-4-6-17(14)22(2)19(15)16;1-5(2,3)4/h3-9,21,23-24H,10-12H2,1-2H3;1H3,(H,2,3,4)