[2-(hydroxymethyl)-1-oxidanyl-2-(pyren-1-ylmethylamino)butyl] methanesulfonate

Systemtic Name: [2-(hydroxymethyl)-1-oxidanyl-2-(pyren-1-ylmethylamino)butyl] methanesulfonate Openeye Name: [1-hydroxy-2-(hydroxymethyl)-2-(pyren-1-ylmethylamino)butyl] methanesulfonate CAS Name: methanesulfonic acid [1-hydroxy-2-(hydroxymethyl)-2-(1-pyrenylmethylamino)butyl] ester IUPAC Name: [1-hydroxy-2-(hydroxymethyl)-2-(pyren-1-ylmethylamino)butyl] methanesulfonate Traditional Name: methanesulfonic acid [1-hydroxy-2-methylol-2-(pyren-1-ylmethylamino)butyl] ester Formula: C23H25NO5S MolecularWeight: 427.5133

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)(C(O)OS(=O)(=O)C)NCC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1

Isomeric SMILES

CCC(CO)(C(O)OS(=O)(=O)C)NCC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1

InChI

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