[2-[(8-ethoxypyren-1-yl)methylamino]-2-methyl-1,3-bis(oxidanyl)propyl] methanesulfonate

Systemtic Name: [2-[(8-ethoxypyren-1-yl)methylamino]-2-methyl-1,3-bis(oxidanyl)propyl] methanesulfonate Openeye Name: [2-[(8-ethoxypyren-1-yl)methylamino]-1,3-dihydroxy-2-methyl-propyl] methanesulfonate CAS Name: methanesulfonic acid [2-[(8-ethoxy-1-pyrenyl)methylamino]-1,3-dihydroxy-2-methylpropyl] ester IUPAC Name: [2-[(8-ethoxypyren-1-yl)methylamino]-1,3-dihydroxy-2-methylpropyl] methanesulfonate Traditional Name: methanesulfonic acid [2-[(8-ethoxypyren-1-yl)methylamino]-1,3-dihydroxy-2-methyl-propyl] ester Formula: C24H27NO6S MolecularWeight: 457.53928

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C2C=CC3=C(C=CC4=C3C2=C(C=C4)C=C1)CNC(C)(CO)C(O)OS(=O)(=O)C

Isomeric SMILES

CCOC1=C2C=CC3=C(C=CC4=C3C2=C(C=C4)C=C1)CNC(C)(CO)C(O)OS(=O)(=O)C

InChI

InChI=1S/C24H27NO6S/c1-4-30-20-12-9-16-6-5-15-7-8-17(18-10-11-19(20)22(16)21(15)18)13-25-24(2,14-26)23(27)31-32(3,28)29/h5-12,23,25-27H,4,13-14H2,1-3H3