[3-(acridin-9-ylamino)-5-(methylsulfonylamino)phenyl]methyl methanesulfonate

Systemtic Name: [3-(acridin-9-ylamino)-5-(methylsulfonylamino)phenyl]methyl methanesulfonate Openeye Name: [3-(acridin-9-ylamino)-5-(methanesulfonamido)phenyl]methyl methanesulfonate CAS Name: methanesulfonic acid [3-(9-acridinylamino)-5-(methanesulfonamido)phenyl]methyl ester IUPAC Name: [3-(acridin-9-ylamino)-5-(methanesulfonamido)phenyl]methyl methanesulfonate Traditional Name: methanesulfonic acid [3-(acridin-9-ylamino)-5-(methanesulfonamido)benzyl] ester Formula: C22H21N3O5S2 MolecularWeight: 471.54924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC1=CC(=CC(=C1)NC2=C3C=CC=CC3=NC4=CC=CC=C42)COS(=O)(=O)C

Isomeric SMILES

CS(=O)(=O)NC1=CC(=CC(=C1)NC2=C3C=CC=CC3=NC4=CC=CC=C42)COS(=O)(=O)C

InChI

InChI=1S/C22H21N3O5S2/c1-31(26,27)25-17-12-15(14-30-32(2,28)29)11-16(13-17)23-22-18-7-3-5-9-20(18)24-21-10-6-4-8-19(21)22/h3-13,25H,14H2,1-2H3,(H,23,24)