sodium 1-[2-(acridin-9-ylamino)-6-azanyl-4-(hydroxymethyl)phenyl]ethanesulfonate

Systemtic Name: sodium 1-[2-(acridin-9-ylamino)-6-azanyl-4-(hydroxymethyl)phenyl]ethanesulfonate Openeye Name: sodium 1-[2-(acridin-9-ylamino)-6-amino-4-(hydroxymethyl)phenyl]ethanesulfonate CAS Name: sodium 1-[2-(9-acridinylamino)-6-amino-4-(hydroxymethyl)phenyl]ethanesulfonate IUPAC Name: sodium 1-[2-(acridin-9-ylamino)-6-amino-4-(hydroxymethyl)phenyl]ethanesulfonate Traditional Name: sodium 1-[2-(acridin-9-ylamino)-6-amino-4-methylol-phenyl]ethanesulfonate Formula: C22H20N3NaO4S MolecularWeight: 445.46667

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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-].[Na+]

Isomeric SMILES

CC(C1=C(C=C(C=C1NC2=C3C=CC=CC3=NC4=CC=CC=C42)CO)N)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C22H21N3O4S.Na/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);/q;+1/p-1