N-[4-(acridin-9-ylamino)-3-methoxy-phenyl]pentane-1-sulfonamide; methanesulfonic acid

Systemtic Name: N-[4-(acridin-9-ylamino)-3-methoxy-phenyl]pentane-1-sulfonamide; methanesulfonic acid Openeye Name: N-[4-(acridin-9-ylamino)-3-methoxy-phenyl]pentane-1-sulfonamide; methanesulfonic acid CAS Name: N-[4-(9-acridinylamino)-3-methoxyphenyl]-1-pentanesulfonamide; methanesulfonic acid IUPAC Name: N-[4-(acridin-9-ylamino)-3-methoxyphenyl]pentane-1-sulfonamide; methanesulfonic acid Traditional Name: N-[4-(acridin-9-ylamino)-3-methoxy-phenyl]pentane-1-sulfonamide; mesylic acid Formula: C26H31N3O6S2 MolecularWeight: 545.67084

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCS(=O)(=O)NC1=CC(=C(C=C1)NC2=C3C=CC=CC3=NC4=CC=CC=C42)OC.CS(=O)(=O)O

Isomeric SMILES

CCCCCS(=O)(=O)NC1=CC(=C(C=C1)NC2=C3C=CC=CC3=NC4=CC=CC=C42)OC.CS(=O)(=O)O

InChI

InChI=1S/C25H27N3O3S.CH4O3S/c1-3-4-9-16-32(29,30)28-18-14-15-23(24(17-18)31-2)27-25-19-10-5-7-12-21(19)26-22-13-8-6-11-20(22)25;1-5(2,3)4/h5-8,10-15,17,28H,3-4,9,16H2,1-2H3,(H,26,27);1H3,(H,2,3,4)