[5-azanyl-2-[5-[1,3-bis(oxidanylidene)isoindol-2-yl]pentoxy]phenyl] methanesulfonate

Systemtic Name: [5-azanyl-2-[5-[1,3-bis(oxidanylidene)isoindol-2-yl]pentoxy]phenyl] methanesulfonate Openeye Name: [5-amino-2-[5-(1,3-dioxoisoindolin-2-yl)pentoxy]phenyl] methanesulfonate CAS Name: methanesulfonic acid [5-amino-2-[5-(1,3-dioxo-2-isoindolyl)pentoxy]phenyl] ester IUPAC Name: [5-amino-2-[5-(1,3-dioxoisoindol-2-yl)pentoxy]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [5-amino-2-(5-phthalimidopentoxy)phenyl] ester Formula: C20H22N2O6S MolecularWeight: 418.46348

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC1=C(C=CC(=C1)N)OCCCCCN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CS(=O)(=O)OC1=C(C=CC(=C1)N)OCCCCCN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C20H22N2O6S/c1-29(25,26)28-18-13-14(21)9-10-17(18)27-12-6-2-5-11-22-19(23)15-7-3-4-8-16(15)20(22)24/h3-4,7-10,13H,2,5-6,11-12,21H2,1H3