2-[[3-(acridin-9-ylamino)-5-azanyl-phenyl]methoxy]ethanesulfonic acid

Systemtic Name: 2-[[3-(acridin-9-ylamino)-5-azanyl-phenyl]methoxy]ethanesulfonic acid Openeye Name: 2-[[3-(acridin-9-ylamino)-5-amino-phenyl]methoxy]ethanesulfonic acid CAS Name: 2-[[3-(9-acridinylamino)-5-aminophenyl]methoxy]ethanesulfonic acid IUPAC Name: 2-[[3-(acridin-9-ylamino)-5-aminophenyl]methoxy]ethanesulfonic acid Traditional Name: 2-[3-(acridin-9-ylamino)-5-amino-benzyl]oxyethanesulfonic acid Formula: C22H21N3O4S MolecularWeight: 423.48484

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NC4=CC(=CC(=C4)N)COCCS(=O)(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NC4=CC(=CC(=C4)N)COCCS(=O)(=O)O

InChI

InChI=1S/C22H21N3O4S/c23-16-11-15(14-29-9-10-30(26,27)28)12-17(13-16)24-22-18-5-1-3-7-20(18)25-21-8-4-2-6-19(21)22/h1-8,11-13H,9-10,14,23H2,(H,24,25)(H,26,27,28)