[2-(anthracen-9-ylmethylamino)-2-(hydroxymethyl)-3-methyl-1-oxidanyl-butyl] methanesulfonate

Systemtic Name: [2-(anthracen-9-ylmethylamino)-2-(hydroxymethyl)-3-methyl-1-oxidanyl-butyl] methanesulfonate Openeye Name: [2-(9-anthrylmethylamino)-1-hydroxy-2-(hydroxymethyl)-3-methyl-butyl] methanesulfonate CAS Name: methanesulfonic acid [2-(9-anthracenylmethylamino)-1-hydroxy-2-(hydroxymethyl)-3-methylbutyl] ester IUPAC Name: [2-(anthracen-9-ylmethylamino)-1-hydroxy-2-(hydroxymethyl)-3-methylbutyl] methanesulfonate Traditional Name: methanesulfonic acid [2-(9-anthrylmethylamino)-1-hydroxy-3-methyl-2-methylol-butyl] ester Formula: C22H27NO5S MolecularWeight: 417.51848

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CO)(C(O)OS(=O)(=O)C)NCC1=C2C=CC=CC2=CC3=CC=CC=C31

Isomeric SMILES

CC(C)C(CO)(C(O)OS(=O)(=O)C)NCC1=C2C=CC=CC2=CC3=CC=CC=C31

InChI

InChI=1S/C22H27NO5S/c1-15(2)22(14-24,21(25)28-29(3,26)27)23-13-20-18-10-6-4-8-16(18)12-17-9-5-7-11-19(17)20/h4-12,15,21,23-25H,13-14H2,1-3H3