1-[2-(acridin-9-ylamino)-6-azanyl-4-(hydroxymethyl)phenyl]ethanesulfonic acid

Systemtic Name: 1-[2-(acridin-9-ylamino)-6-azanyl-4-(hydroxymethyl)phenyl]ethanesulfonic acid Openeye Name: 1-[2-(acridin-9-ylamino)-6-amino-4-(hydroxymethyl)phenyl]ethanesulfonic acid CAS Name: 1-[2-(9-acridinylamino)-6-amino-4-(hydroxymethyl)phenyl]ethanesulfonic acid IUPAC Name: 1-[2-(acridin-9-ylamino)-6-amino-4-(hydroxymethyl)phenyl]ethanesulfonic acid Traditional Name: 1-[2-(acridin-9-ylamino)-6-amino-4-methylol-phenyl]ethanesulfonic acid Formula: C22H21N3O4S MolecularWeight: 423.48484

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C(C=C(C=C1NC2=C3C=CC=CC3=NC4=CC=CC=C42)CO)N)S(=O)(=O)O

Isomeric SMILES

CC(C1=C(C=C(C=C1NC2=C3C=CC=CC3=NC4=CC=CC=C42)CO)N)S(=O)(=O)O

InChI

InChI=1S/C22H21N3O4S/c1-13(30(27,28)29)21-17(23)10-14(12-26)11-20(21)25-22-15-6-2-4-8-18(15)24-19-9-5-3-7-16(19)22/h2-11,13,26H,12,23H2,1H3,(H,24,25)(H,27,28,29)