methyl 2-[[3-acetamido-5-(acridin-9-ylamino)phenyl]methoxy]ethanesulfonate

Systemtic Name: methyl 2-[[3-acetamido-5-(acridin-9-ylamino)phenyl]methoxy]ethanesulfonate Openeye Name: methyl 2-[[3-acetamido-5-(acridin-9-ylamino)phenyl]methoxy]ethanesulfonate CAS Name: 2-[[3-acetamido-5-(9-acridinylamino)phenyl]methoxy]ethanesulfonic acid methyl ester IUPAC Name: methyl 2-[[3-acetamido-5-(acridin-9-ylamino)phenyl]methoxy]ethanesulfonate Traditional Name: 2-[3-acetamido-5-(acridin-9-ylamino)benzyl]oxyethanesulfonic acid methyl ester Formula: C25H25N3O5S MolecularWeight: 479.5481

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=CC(=C1)NC2=C3C=CC=CC3=NC4=CC=CC=C42)COCCS(=O)(=O)OC

Isomeric SMILES

CC(=O)NC1=CC(=CC(=C1)NC2=C3C=CC=CC3=NC4=CC=CC=C42)COCCS(=O)(=O)OC

InChI

InChI=1S/C25H25N3O5S/c1-17(29)26-19-13-18(16-33-11-12-34(30,31)32-2)14-20(15-19)27-25-21-7-3-5-9-23(21)28-24-10-6-4-8-22(24)25/h3-10,13-15H,11-12,16H2,1-2H3,(H,26,29)(H,27,28)