N-[4-(acridin-9-ylamino)-2-methyl-phenyl]methanesulfonamide; methanesulfonic acid

Systemtic Name: N-[4-(acridin-9-ylamino)-2-methyl-phenyl]methanesulfonamide; methanesulfonic acid Openeye Name: N-[4-(acridin-9-ylamino)-2-methyl-phenyl]methanesulfonamide; methanesulfonic acid CAS Name: N-[4-(9-acridinylamino)-2-methylphenyl]methanesulfonamide; methanesulfonic acid IUPAC Name: N-[4-(acridin-9-ylamino)-2-methylphenyl]methanesulfonamide; methanesulfonic acid Traditional Name: N-[4-(acridin-9-ylamino)-2-methyl-phenyl]methanesulfonamide; mesylic acid Formula: C22H23N3O5S2 MolecularWeight: 473.56512

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC2=C3C=CC=CC3=NC4=CC=CC=C42)NS(=O)(=O)C.CS(=O)(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)NC2=C3C=CC=CC3=NC4=CC=CC=C42)NS(=O)(=O)C.CS(=O)(=O)O

InChI

InChI=1S/C21H19N3O2S.CH4O3S/c1-14-13-15(11-12-18(14)24-27(2,25)26)22-21-16-7-3-5-9-19(16)23-20-10-6-4-8-17(20)21;1-5(2,3)4/h3-13,24H,1-2H3,(H,22,23);1H3,(H,2,3,4)