[2-methyl-1,4-bis(oxidanyl)-2-(phenanthren-9-ylmethylamino)butyl] methanesulfonate

Systemtic Name: [2-methyl-1,4-bis(oxidanyl)-2-(phenanthren-9-ylmethylamino)butyl] methanesulfonate Openeye Name: [1,4-dihydroxy-2-methyl-2-(9-phenanthrylmethylamino)butyl] methanesulfonate CAS Name: methanesulfonic acid [1,4-dihydroxy-2-methyl-2-(9-phenanthrenylmethylamino)butyl] ester IUPAC Name: [1,4-dihydroxy-2-methyl-2-(phenanthren-9-ylmethylamino)butyl] methanesulfonate Traditional Name: methanesulfonic acid [1,4-dihydroxy-2-methyl-2-(9-phenanthrylmethylamino)butyl] ester Formula: C21H25NO5S MolecularWeight: 403.4919

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO5S/c1-21(11-12-23,20(24)27-28(2,25)26)22-14-16-13-15-7-3-4-8-17(15)19-10-6-5-9-18(16)19/h3-10,13,20,22-24H,11-12,14H2,1-2H3