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

Systemtic Name: [2-(hydroxymethyl)-3-methyl-1-oxidanyl-2-(phenanthren-9-ylmethylamino)butyl] methanesulfonate Openeye Name: [1-hydroxy-2-(hydroxymethyl)-3-methyl-2-(9-phenanthrylmethylamino)butyl] methanesulfonate CAS Name: methanesulfonic acid [1-hydroxy-2-(hydroxymethyl)-3-methyl-2-(9-phenanthrenylmethylamino)butyl] ester IUPAC Name: [1-hydroxy-2-(hydroxymethyl)-3-methyl-2-(phenanthren-9-ylmethylamino)butyl] methanesulfonate Traditional Name: methanesulfonic acid [1-hydroxy-3-methyl-2-methylol-2-(9-phenanthrylmethylamino)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=CC2=CC=CC=C2C3=CC=CC=C31

Isomeric SMILES

CC(C)C(CO)(C(O)OS(=O)(=O)C)NCC1=CC2=CC=CC=C2C3=CC=CC=C31

InChI

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