[2-(4,5-dihydroacephenanthrylen-6-ylmethylamino)-2-methyl-1,3-bis(oxidanyl)propyl] methanesulfonate

Systemtic Name: [2-(4,5-dihydroacephenanthrylen-6-ylmethylamino)-2-methyl-1,3-bis(oxidanyl)propyl] methanesulfonate Openeye Name: [2-(4,5-dihydroacephenanthrylen-6-ylmethylamino)-1,3-dihydroxy-2-methyl-propyl] methanesulfonate CAS Name: methanesulfonic acid [2-(4,5-dihydroacephenanthrylen-6-ylmethylamino)-1,3-dihydroxy-2-methylpropyl] ester IUPAC Name: [2-(4,5-dihydroacephenanthrylen-6-ylmethylamino)-1,3-dihydroxy-2-methylpropyl] methanesulfonate Traditional Name: methanesulfonic acid [2-(acephenanthren-6-ylmethylamino)-1,3-dihydroxy-2-methyl-propyl] ester Formula: C22H25NO5S MolecularWeight: 415.5026

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Descriptors Computed from Structure

Canonical SMILES:

CC(CO)(C(O)OS(=O)(=O)C)NCC1=C2CCC3=CC=CC(=C32)C4=CC=CC=C41

Isomeric SMILES

CC(CO)(C(O)OS(=O)(=O)C)NCC1=C2CCC3=CC=CC(=C32)C4=CC=CC=C41

InChI

InChI=1S/C22H25NO5S/c1-22(13-24,21(25)28-29(2,26)27)23-12-19-16-8-4-3-7-15(16)17-9-5-6-14-10-11-18(19)20(14)17/h3-9,21,23-25H,10-13H2,1-2H3