3-[[3-acetamido-5-(acridin-9-ylamino)phenyl]methoxy]propane-1-sulfonic acid

Systemtic Name: 3-[[3-acetamido-5-(acridin-9-ylamino)phenyl]methoxy]propane-1-sulfonic acid Openeye Name: 3-[[3-acetamido-5-(acridin-9-ylamino)phenyl]methoxy]propane-1-sulfonic acid CAS Name: 3-[[3-acetamido-5-(9-acridinylamino)phenyl]methoxy]-1-propanesulfonic acid IUPAC Name: 3-[[3-acetamido-5-(acridin-9-ylamino)phenyl]methoxy]propane-1-sulfonic acid Traditional Name: 3-[3-acetamido-5-(acridin-9-ylamino)benzyl]oxypropane-1-sulfonic acid 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)COCCCS(=O)(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C25H25N3O5S/c1-17(29)26-19-13-18(16-33-11-6-12-34(30,31)32)14-20(15-19)27-25-21-7-2-4-9-23(21)28-24-10-5-3-8-22(24)25/h2-5,7-10,13-15H,6,11-12,16H2,1H3,(H,26,29)(H,27,28)(H,30,31,32)