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

Systemtic Name: [2-methyl-2-[(10-methylsulfanylanthracen-9-yl)methylamino]-1,3-bis(oxidanyl)propyl] methanesulfonate Openeye Name: [1,3-dihydroxy-2-methyl-2-[(10-methylsulfanyl-9-anthryl)methylamino]propyl] methanesulfonate CAS Name: methanesulfonic acid [1,3-dihydroxy-2-methyl-2-[[10-(methylthio)-9-anthracenyl]methylamino]propyl] ester IUPAC Name: [1,3-dihydroxy-2-methyl-2-[(10-methylsulfanylanthracen-9-yl)methylamino]propyl] methanesulfonate Traditional Name: methanesulfonic acid [1,3-dihydroxy-2-methyl-2-[[10-(methylthio)-9-anthryl]methylamino]propyl] ester Formula: C21H25NO5S2 MolecularWeight: 435.5569

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Descriptors Computed from Structure

Canonical SMILES:

CC(CO)(C(O)OS(=O)(=O)C)NCC1=C2C=CC=CC2=C(C3=CC=CC=C31)SC

Isomeric SMILES

CC(CO)(C(O)OS(=O)(=O)C)NCC1=C2C=CC=CC2=C(C3=CC=CC=C31)SC

InChI

InChI=1S/C21H25NO5S2/c1-21(13-23,20(24)27-29(3,25)26)22-12-18-14-8-4-6-10-16(14)19(28-2)17-11-7-5-9-15(17)18/h4-11,20,22-24H,12-13H2,1-3H3