[2-methyl-2-[(10-methylanthracen-9-yl)methylamino]-1,3-bis(oxidanyl)propyl] methanesulfonate

Systemtic Name: [2-methyl-2-[(10-methylanthracen-9-yl)methylamino]-1,3-bis(oxidanyl)propyl] methanesulfonate Openeye Name: [1,3-dihydroxy-2-methyl-2-[(10-methyl-9-anthryl)methylamino]propyl] methanesulfonate CAS Name: methanesulfonic acid [1,3-dihydroxy-2-methyl-2-[(10-methyl-9-anthracenyl)methylamino]propyl] ester IUPAC Name: [1,3-dihydroxy-2-methyl-2-[(10-methylanthracen-9-yl)methylamino]propyl] methanesulfonate Traditional Name: methanesulfonic acid [1,3-dihydroxy-2-methyl-2-[(10-methyl-9-anthryl)methylamino]propyl] ester Formula: C21H25NO5S MolecularWeight: 403.4919

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=CC=CC2=C(C3=CC=CC=C13)CNC(C)(CO)C(O)OS(=O)(=O)C

Isomeric SMILES

CC1=C2C=CC=CC2=C(C3=CC=CC=C13)CNC(C)(CO)C(O)OS(=O)(=O)C

InChI

InChI=1S/C21H25NO5S/c1-14-15-8-4-6-10-17(15)19(18-11-7-5-9-16(14)18)12-22-21(2,13-23)20(24)27-28(3,25)26/h4-11,20,22-24H,12-13H2,1-3H3