methanesulfonic acid; 2-methyl-2-[(6-methylindolo[3,2-b]quinoxalin-10-yl)methylamino]propane-1,3-diol

Systemtic Name: methanesulfonic acid; 2-methyl-2-[(6-methylindolo[3,2-b]quinoxalin-10-yl)methylamino]propane-1,3-diol Openeye Name: methanesulfonic acid; 2-methyl-2-[(6-methylindolo[3,2-b]quinoxalin-10-yl)methylamino]propane-1,3-diol CAS Name: methanesulfonic acid; 2-methyl-2-[(6-methyl-10-indolo[3,2-b]quinoxalinyl)methylamino]propane-1,3-diol IUPAC Name: methanesulfonic acid; 2-methyl-2-[(6-methylindolo[3,2-b]quinoxalin-10-yl)methylamino]propane-1,3-diol Traditional Name: mesylic acid; 2-methyl-2-[(6-methylindolo[3,2-b]quinoxalin-10-yl)methylamino]propane-1,3-diol Formula: C21H26N4O5S MolecularWeight: 446.51994

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Descriptors Computed from Structure

Canonical SMILES:

CC(CO)(CO)NCC1=C2C(=CC=C1)N(C3=NC4=CC=CC=C4N=C23)C.CS(=O)(=O)O

Isomeric SMILES

CC(CO)(CO)NCC1=C2C(=CC=C1)N(C3=NC4=CC=CC=C4N=C23)C.CS(=O)(=O)O

InChI

InChI=1S/C20H22N4O2.CH4O3S/c1-20(11-25,12-26)21-10-13-6-5-9-16-17(13)18-19(24(16)2)23-15-8-4-3-7-14(15)22-18;1-5(2,3)4/h3-9,21,25-26H,10-12H2,1-2H3;1H3,(H,2,3,4)