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

Systemtic Name: N-[4-(acridin-9-ylamino)phenyl]-5-(quinolin-4-ylamino)pentane-1-sulfonamide dihydrochloride Openeye Name: N-[4-(acridin-9-ylamino)phenyl]-5-(4-quinolylamino)pentane-1-sulfonamide dihydrochloride CAS Name: N-[4-(9-acridinylamino)phenyl]-5-(4-quinolinylamino)-1-pentanesulfonamide dihydrochloride IUPAC Name: N-[4-(acridin-9-ylamino)phenyl]-5-(quinolin-4-ylamino)pentane-1-sulfonamide dihydrochloride Traditional Name: N-[4-(acridin-9-ylamino)phenyl]-5-(4-quinolylamino)pentane-1-sulfonamide dihydrochloride Formula: C33H33Cl2N5O2S MolecularWeight: 634.61842

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H31N5O2S.2ClH/c39-41(40,23-9-1-8-21-34-30-20-22-35-29-13-5-2-10-26(29)30)38-25-18-16-24(17-19-25)36-33-27-11-3-6-14-31(27)37-32-15-7-4-12-28(32)33;;/h2-7,10-20,22,38H,1,8-9,21,23H2,(H,34,35)(H,36,37);2*1H