9-[4-(acridin-9-ylamino)phenyl]nonanamide; methanesulfonic acid; hydrate

Systemtic Name: 9-[4-(acridin-9-ylamino)phenyl]nonanamide; methanesulfonic acid; hydrate Openeye Name: 9-[4-(acridin-9-ylamino)phenyl]nonanamide; methanesulfonic acid; hydrate CAS Name: 9-[4-(9-acridinylamino)phenyl]nonanamide; methanesulfonic acid; hydrate IUPAC Name: 9-[4-(acridin-9-ylamino)phenyl]nonanamide; methanesulfonic acid; hydrate Traditional Name: 9-[4-(acridin-9-ylamino)phenyl]pelargonamide; mesylic acid; hydrate Formula: C29H37N3O5S MolecularWeight: 539.68618

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)O.C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NC4=CC=C(C=C4)CCCCCCCCC(=O)N.O

Isomeric SMILES

CS(=O)(=O)O.C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NC4=CC=C(C=C4)CCCCCCCCC(=O)N.O

InChI

InChI=1S/C28H31N3O.CH4O3S.H2O/c29-27(32)16-6-4-2-1-3-5-11-21-17-19-22(20-18-21)30-28-23-12-7-9-14-25(23)31-26-15-10-8-13-24(26)28;1-5(2,3)4;/h7-10,12-15,17-20H,1-6,11,16H2,(H2,29,32)(H,30,31);1H3,(H,2,3,4);1H2