methyl 3-[[3-(acridin-9-ylamino)-5-azanyl-phenyl]methoxy]propane-1-sulfonate

Systemtic Name: methyl 3-[[3-(acridin-9-ylamino)-5-azanyl-phenyl]methoxy]propane-1-sulfonate Openeye Name: methyl 3-[[3-(acridin-9-ylamino)-5-amino-phenyl]methoxy]propane-1-sulfonate CAS Name: 3-[[3-(9-acridinylamino)-5-aminophenyl]methoxy]-1-propanesulfonic acid IUPAC Name: methyl 3-[[3-(acridin-9-ylamino)-5-aminophenyl]methoxy]propane-1-sulfonate Traditional Name: 3-[3-(acridin-9-ylamino)-5-amino-benzyl]oxypropane-1-sulfonic acid methyl ester Formula: C24H25N3O4S MolecularWeight: 451.538

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Descriptors Computed from Structure

Canonical SMILES:

COS(=O)(=O)CCCOCC1=CC(=CC(=C1)NC2=C3C=CC=CC3=NC4=CC=CC=C42)N

Isomeric SMILES

COS(=O)(=O)CCCOCC1=CC(=CC(=C1)NC2=C3C=CC=CC3=NC4=CC=CC=C42)N

InChI

InChI=1S/C24H25N3O4S/c1-30-32(28,29)12-6-11-31-16-17-13-18(25)15-19(14-17)26-24-20-7-2-4-9-22(20)27-23-10-5-3-8-21(23)24/h2-5,7-10,13-15H,6,11-12,16,25H2,1H3,(H,26,27)