[2-[(1-morpholin-4-ylanthracen-9-yl)methylamino]-1,3-bis(oxidanyl)propyl] methanesulfonate

Systemtic Name: [2-[(1-morpholin-4-ylanthracen-9-yl)methylamino]-1,3-bis(oxidanyl)propyl] methanesulfonate Openeye Name: [1,3-dihydroxy-2-[(1-morpholino-9-anthryl)methylamino]propyl] methanesulfonate CAS Name: methanesulfonic acid [1,3-dihydroxy-2-[[1-(4-morpholinyl)-9-anthracenyl]methylamino]propyl] ester IUPAC Name: [1,3-dihydroxy-2-[(1-morpholin-4-ylanthracen-9-yl)methylamino]propyl] methanesulfonate Traditional Name: methanesulfonic acid [1,3-dihydroxy-2-[(1-morpholino-9-anthryl)methylamino]propyl] ester Formula: C23H28N2O6S MolecularWeight: 460.54322

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC(C(CO)NCC1=C2C(=CC3=CC=CC=C31)C=CC=C2N4CCOCC4)O

Isomeric SMILES

CS(=O)(=O)OC(C(CO)NCC1=C2C(=CC3=CC=CC=C31)C=CC=C2N4CCOCC4)O

InChI

InChI=1S/C23H28N2O6S/c1-32(28,29)31-23(27)20(15-26)24-14-19-18-7-3-2-5-16(18)13-17-6-4-8-21(22(17)19)25-9-11-30-12-10-25/h2-8,13,20,23-24,26-27H,9-12,14-15H2,1H3