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

Systemtic Name: 2-[2-(acridin-9-ylamino)-4-(hydroxymethyl)-6-(2-methoxysulfonylethylamino)phenyl]ethanesulfonic acid Openeye Name: 2-[2-(acridin-9-ylamino)-4-(hydroxymethyl)-6-(2-methoxysulfonylethylamino)phenyl]ethanesulfonic acid CAS Name: 2-[2-(9-acridinylamino)-4-(hydroxymethyl)-6-(2-methoxysulfonylethylamino)phenyl]ethanesulfonic acid IUPAC Name: 2-[2-(acridin-9-ylamino)-4-(hydroxymethyl)-6-(2-methoxysulfonylethylamino)phenyl]ethanesulfonic acid Traditional Name: 2-[2-(acridin-9-ylamino)-6-(2-methoxysulfonylethylamino)-4-methylol-phenyl]ethanesulfonic acid Formula: C25H27N3O7S2 MolecularWeight: 545.62778

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Descriptors Computed from Structure

Canonical SMILES:

COS(=O)(=O)CCNC1=CC(=CC(=C1CCS(=O)(=O)O)NC2=C3C=CC=CC3=NC4=CC=CC=C42)CO

Isomeric SMILES

COS(=O)(=O)CCNC1=CC(=CC(=C1CCS(=O)(=O)O)NC2=C3C=CC=CC3=NC4=CC=CC=C42)CO

InChI

InChI=1S/C25H27N3O7S2/c1-35-37(33,34)13-11-26-23-14-17(16-29)15-24(18(23)10-12-36(30,31)32)28-25-19-6-2-4-8-21(19)27-22-9-5-3-7-20(22)25/h2-9,14-15,26,29H,10-13,16H2,1H3,(H,27,28)(H,30,31,32)