N-[4-(acridin-9-ylamino)phenyl]-2-(quinolin-4-ylamino)ethanesulfonamide dihydrate dihydrobromide

Systemtic Name: N-[4-(acridin-9-ylamino)phenyl]-2-(quinolin-4-ylamino)ethanesulfonamide dihydrate dihydrobromide Openeye Name: N-[4-(acridin-9-ylamino)phenyl]-2-(4-quinolylamino)ethanesulfonamide dihydrate dihydrobromide CAS Name: N-[4-(9-acridinylamino)phenyl]-2-(4-quinolinylamino)ethanesulfonamide dihydrate dihydrobromide IUPAC Name: N-[4-(acridin-9-ylamino)phenyl]-2-(quinolin-4-ylamino)ethanesulfonamide dihydrate dihydrobromide Traditional Name: N-[4-(acridin-9-ylamino)phenyl]-2-(4-quinolylamino)ethanesulfonamide dihydrate dihydrobromide Formula: C30H31Br2N5O4S MolecularWeight: 717.47124

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC=N2)NCCS(=O)(=O)NC3=CC=C(C=C3)NC4=C5C=CC=CC5=NC6=CC=CC=C64.O.O.Br.Br

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC=N2)NCCS(=O)(=O)NC3=CC=C(C=C3)NC4=C5C=CC=CC5=NC6=CC=CC=C64.O.O.Br.Br

InChI

InChI=1S/C30H25N5O2S.2BrH.2H2O/c36-38(37,20-19-32-27-17-18-31-26-10-4-1-7-23(26)27)35-22-15-13-21(14-16-22)33-30-24-8-2-5-11-28(24)34-29-12-6-3-9-25(29)30;;;;/h1-18,35H,19-20H2,(H,31,32)(H,33,34);2*1H;2*1H2