[2-methyl-4-oxidanyl-2-(perylen-3-ylmethylamino)butyl] methanesulfonate

Systemtic Name: [2-methyl-4-oxidanyl-2-(perylen-3-ylmethylamino)butyl] methanesulfonate Openeye Name: [4-hydroxy-2-methyl-2-(perylen-3-ylmethylamino)butyl] methanesulfonate CAS Name: methanesulfonic acid [4-hydroxy-2-methyl-2-(3-perylenylmethylamino)butyl] ester IUPAC Name: [4-hydroxy-2-methyl-2-(perylen-3-ylmethylamino)butyl] methanesulfonate Traditional Name: methanesulfonic acid [4-hydroxy-2-methyl-2-(perylen-3-ylmethylamino)butyl] ester Formula: C27H27NO4S MolecularWeight: 461.57258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CCO)(COS(=O)(=O)C)NCC1=CC=C2C3=CC=CC4=C3C(=CC=C4)C5=C2C1=CC=C5

Isomeric SMILES

CC(CCO)(COS(=O)(=O)C)NCC1=CC=C2C3=CC=CC4=C3C(=CC=C4)C5=C2C1=CC=C5

InChI

InChI=1S/C27H27NO4S/c1-27(14-15-29,17-32-33(2,30)31)28-16-19-12-13-24-22-10-4-7-18-6-3-9-21(25(18)22)23-11-5-8-20(19)26(23)24/h3-13,28-29H,14-17H2,1-2H3