5-(acridin-9-ylamino)-N-[4-(acridin-9-ylamino)phenyl]pentane-1-sulfonamide trihydrate dihydrochloride

Systemtic Name: 5-(acridin-9-ylamino)-N-[4-(acridin-9-ylamino)phenyl]pentane-1-sulfonamide trihydrate dihydrochloride Openeye Name: 5-(acridin-9-ylamino)-N-[4-(acridin-9-ylamino)phenyl]pentane-1-sulfonamide trihydrate dihydrochloride CAS Name: 5-(9-acridinylamino)-N-[4-(9-acridinylamino)phenyl]-1-pentanesulfonamide trihydrate dihydrochloride IUPAC Name: 5-(acridin-9-ylamino)-N-[4-(acridin-9-ylamino)phenyl]pentane-1-sulfonamide trihydrate dihydrochloride Traditional Name: 5-(acridin-9-ylamino)-N-[4-(acridin-9-ylamino)phenyl]pentane-1-sulfonamide trihydrate dihydrochloride Formula: C37H41Cl2N5O5S MolecularWeight: 738.72294

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NCCCCCS(=O)(=O)NC4=CC=C(C=C4)NC5=C6C=CC=CC6=NC7=CC=CC=C75.O.O.O.Cl.Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NCCCCCS(=O)(=O)NC4=CC=C(C=C4)NC5=C6C=CC=CC6=NC7=CC=CC=C75.O.O.O.Cl.Cl

InChI

InChI=1S/C37H33N5O2S.2ClH.3H2O/c43-45(44,25-11-1-10-24-38-36-28-12-2-6-16-32(28)40-33-17-7-3-13-29(33)36)42-27-22-20-26(21-23-27)39-37-30-14-4-8-18-34(30)41-35-19-9-5-15-31(35)37;;;;;/h2-9,12-23,42H,1,10-11,24-25H2,(H,38,40)(H,39,41);2*1H;3*1H2