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

Systemtic Name: [3-methoxy-2-methyl-1-oxidanyl-2-(pyren-2-ylmethylamino)propyl] methanesulfonate Openeye Name: [1-hydroxy-3-methoxy-2-methyl-2-(pyren-2-ylmethylamino)propyl] methanesulfonate CAS Name: methanesulfonic acid [1-hydroxy-3-methoxy-2-methyl-2-(2-pyrenylmethylamino)propyl] ester IUPAC Name: [1-hydroxy-3-methoxy-2-methyl-2-(pyren-2-ylmethylamino)propyl] methanesulfonate Traditional Name: methanesulfonic acid [1-hydroxy-3-methoxy-2-methyl-2-(pyren-2-ylmethylamino)propyl] ester Formula: C23H25NO5S MolecularWeight: 427.5133

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC)(C(O)OS(=O)(=O)C)NCC1=CC2=C3C(=C1)C=CC4=C3C(=CC=C4)C=C2

Isomeric SMILES

CC(COC)(C(O)OS(=O)(=O)C)NCC1=CC2=C3C(=C1)C=CC4=C3C(=CC=C4)C=C2

InChI

InChI=1S/C23H25NO5S/c1-23(14-28-2,22(25)29-30(3,26)27)24-13-15-11-18-9-7-16-5-4-6-17-8-10-19(12-15)21(18)20(16)17/h4-12,22,24-25H,13-14H2,1-3H3