[2-(fluoranthen-3-ylmethylamino)-2-methyl-1,3-bis(oxidanyl)propyl] methanesulfonate

Systemtic Name: [2-(fluoranthen-3-ylmethylamino)-2-methyl-1,3-bis(oxidanyl)propyl] methanesulfonate Openeye Name: [2-(fluoranthen-3-ylmethylamino)-1,3-dihydroxy-2-methyl-propyl] methanesulfonate CAS Name: methanesulfonic acid [2-(3-fluoranthenylmethylamino)-1,3-dihydroxy-2-methylpropyl] ester IUPAC Name: [2-(fluoranthen-3-ylmethylamino)-1,3-dihydroxy-2-methylpropyl] methanesulfonate Traditional Name: methanesulfonic acid [2-(fluoranthen-3-ylmethylamino)-1,3-dihydroxy-2-methyl-propyl] ester Formula: C22H23NO5S MolecularWeight: 413.48672

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Descriptors Computed from Structure

Canonical SMILES:

CC(CO)(C(O)OS(=O)(=O)C)NCC1=C2C=CC=C3C2=C(C=C1)C4=CC=CC=C43

Isomeric SMILES

CC(CO)(C(O)OS(=O)(=O)C)NCC1=C2C=CC=C3C2=C(C=C1)C4=CC=CC=C43

InChI

InChI=1S/C22H23NO5S/c1-22(13-24,21(25)28-29(2,26)27)23-12-14-10-11-19-17-7-4-3-6-16(17)18-9-5-8-15(14)20(18)19/h3-11,21,23-25H,12-13H2,1-2H3