[2-(hydroxymethyl)-3-methyl-1-oxidanyl-2-(perylen-3-ylmethylamino)butyl] methanesulfonate

Systemtic Name: [2-(hydroxymethyl)-3-methyl-1-oxidanyl-2-(perylen-3-ylmethylamino)butyl] methanesulfonate Openeye Name: [1-hydroxy-2-(hydroxymethyl)-3-methyl-2-(perylen-3-ylmethylamino)butyl] methanesulfonate CAS Name: methanesulfonic acid [1-hydroxy-2-(hydroxymethyl)-3-methyl-2-(3-perylenylmethylamino)butyl] ester IUPAC Name: [1-hydroxy-2-(hydroxymethyl)-3-methyl-2-(perylen-3-ylmethylamino)butyl] methanesulfonate Traditional Name: methanesulfonic acid [1-hydroxy-3-methyl-2-methylol-2-(perylen-3-ylmethylamino)butyl] ester Formula: C28H29NO5S MolecularWeight: 491.59856

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CO)(C(O)OS(=O)(=O)C)NCC1=CC=C2C3=CC=CC4=C3C(=CC=C4)C5=C2C1=CC=C5

Isomeric SMILES

CC(C)C(CO)(C(O)OS(=O)(=O)C)NCC1=CC=C2C3=CC=CC4=C3C(=CC=C4)C5=C2C1=CC=C5

InChI

InChI=1S/C28H29NO5S/c1-17(2)28(16-30,27(31)34-35(3,32)33)29-15-19-13-14-24-22-11-5-8-18-7-4-10-21(25(18)22)23-12-6-9-20(19)26(23)24/h4-14,17,27,29-31H,15-16H2,1-3H3