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

Systemtic Name: methyl 2-[[3-(acridin-9-ylamino)-5-azanyl-phenyl]methoxy]ethanesulfonate Openeye Name: methyl 2-[[3-(acridin-9-ylamino)-5-amino-phenyl]methoxy]ethanesulfonate CAS Name: 2-[[3-(9-acridinylamino)-5-aminophenyl]methoxy]ethanesulfonic acid methyl ester IUPAC Name: methyl 2-[[3-(acridin-9-ylamino)-5-aminophenyl]methoxy]ethanesulfonate Traditional Name: 2-[3-(acridin-9-ylamino)-5-amino-benzyl]oxyethanesulfonic acid methyl ester Formula: C23H23N3O4S MolecularWeight: 437.51142

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COS(=O)(=O)CCOCC1=CC(=CC(=C1)NC2=C3C=CC=CC3=NC4=CC=CC=C42)N

Isomeric SMILES

COS(=O)(=O)CCOCC1=CC(=CC(=C1)NC2=C3C=CC=CC3=NC4=CC=CC=C42)N

InChI

InChI=1S/C23H23N3O4S/c1-29-31(27,28)11-10-30-15-16-12-17(24)14-18(13-16)25-23-19-6-2-4-8-21(19)26-22-9-5-3-7-20(22)23/h2-9,12-14H,10-11,15,24H2,1H3,(H,25,26)