methyl 1-[(3-acetamidophenyl)methoxy]-3-(acridin-9-ylamino)propane-1-sulfonate

Systemtic Name: methyl 1-[(3-acetamidophenyl)methoxy]-3-(acridin-9-ylamino)propane-1-sulfonate Openeye Name: methyl 1-[(3-acetamidophenyl)methoxy]-3-(acridin-9-ylamino)propane-1-sulfonate CAS Name: 1-[(3-acetamidophenyl)methoxy]-3-(9-acridinylamino)-1-propanesulfonic acid IUPAC Name: methyl 1-[(3-acetamidophenyl)methoxy]-3-(acridin-9-ylamino)propane-1-sulfonate Traditional Name: 1-(3-acetamidobenzyl)oxy-3-(acridin-9-ylamino)propane-1-sulfonic acid methyl ester Formula: C26H27N3O5S MolecularWeight: 493.57468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC(=C1)COC(CCNC2=C3C=CC=CC3=NC4=CC=CC=C42)S(=O)(=O)OC

Isomeric SMILES

CC(=O)NC1=CC=CC(=C1)COC(CCNC2=C3C=CC=CC3=NC4=CC=CC=C42)S(=O)(=O)OC

InChI

InChI=1S/C26H27N3O5S/c1-18(30)28-20-9-7-8-19(16-20)17-34-25(35(31,32)33-2)14-15-27-26-21-10-3-5-12-23(21)29-24-13-6-4-11-22(24)26/h3-13,16,25H,14-15,17H2,1-2H3,(H,27,29)(H,28,30)