3-(acridin-9-ylamino)-N-[4-(acridin-9-ylamino)phenyl]propane-1-sulfonamide trihydrate dihydrochloride

Systemtic Name: 3-(acridin-9-ylamino)-N-[4-(acridin-9-ylamino)phenyl]propane-1-sulfonamide trihydrate dihydrochloride Openeye Name: 3-(acridin-9-ylamino)-N-[4-(acridin-9-ylamino)phenyl]propane-1-sulfonamide trihydrate dihydrochloride CAS Name: 3-(9-acridinylamino)-N-[4-(9-acridinylamino)phenyl]-1-propanesulfonamide trihydrate dihydrochloride IUPAC Name: 3-(acridin-9-ylamino)-N-[4-(acridin-9-ylamino)phenyl]propane-1-sulfonamide trihydrate dihydrochloride Traditional Name: 3-(acridin-9-ylamino)-N-[4-(acridin-9-ylamino)phenyl]propane-1-sulfonamide trihydrate dihydrochloride Formula: C35H37Cl2N5O5S MolecularWeight: 710.66978

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C35H29N5O2S.2ClH.3H2O/c41-43(42,23-9-22-36-34-26-10-1-5-14-30(26)38-31-15-6-2-11-27(31)34)40-25-20-18-24(19-21-25)37-35-28-12-3-7-16-32(28)39-33-17-8-4-13-29(33)35;;;;;/h1-8,10-21,40H,9,22-23H2,(H,36,38)(H,37,39);2*1H;3*1H2