2-[[3-(acridin-9-ylamino)-5-(hydroxymethyl)phenyl]amino]ethanesulfonic acid

Systemtic Name: 2-[[3-(acridin-9-ylamino)-5-(hydroxymethyl)phenyl]amino]ethanesulfonic acid Openeye Name: 2-[3-(acridin-9-ylamino)-5-(hydroxymethyl)anilino]ethanesulfonic acid CAS Name: 2-[3-(9-acridinylamino)-5-(hydroxymethyl)anilino]ethanesulfonic acid IUPAC Name: 2-[3-(acridin-9-ylamino)-5-(hydroxymethyl)anilino]ethanesulfonic acid Traditional Name: 2-[3-(acridin-9-ylamino)-5-methylol-anilino]ethanesulfonic 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)CO)NCCS(=O)(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NC4=CC(=CC(=C4)CO)NCCS(=O)(=O)O

InChI

InChI=1S/C22H21N3O4S/c26-14-15-11-16(23-9-10-30(27,28)29)13-17(12-15)24-22-18-5-1-3-7-20(18)25-21-8-4-2-6-19(21)22/h1-8,11-13,23,26H,9-10,14H2,(H,24,25)(H,27,28,29)