methyl 3-[[3-(acridin-9-ylamino)-5-(hydroxymethyl)phenyl]amino]propane-1-sulfonate

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

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Descriptors Computed from Structure

Canonical SMILES:

COS(=O)(=O)CCCNC1=CC(=CC(=C1)NC2=C3C=CC=CC3=NC4=CC=CC=C42)CO

Isomeric SMILES

COS(=O)(=O)CCCNC1=CC(=CC(=C1)NC2=C3C=CC=CC3=NC4=CC=CC=C42)CO

InChI

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