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

Systemtic Name: [2-methyl-1,3-bis(oxidanyl)-2-(pyren-1-ylmethylamino)propyl] methanesulfonate Openeye Name: [1,3-dihydroxy-2-methyl-2-(pyren-1-ylmethylamino)propyl] methanesulfonate CAS Name: methanesulfonic acid [1,3-dihydroxy-2-methyl-2-(1-pyrenylmethylamino)propyl] ester IUPAC Name: [1,3-dihydroxy-2-methyl-2-(pyren-1-ylmethylamino)propyl] methanesulfonate Traditional Name: methanesulfonic acid [1,3-dihydroxy-2-methyl-2-(pyren-1-ylmethylamino)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=CC3=CC=CC4=C3C2=C(C=C4)C=C1

Isomeric SMILES

CC(CO)(C(O)OS(=O)(=O)C)NCC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1

InChI

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