3-[2-(acridin-9-ylamino)-4-(hydroxymethyl)-6-(3-methoxysulfonylpropylamino)phenyl]propane-1-sulfonic acid

Systemtic Name: 3-[2-(acridin-9-ylamino)-4-(hydroxymethyl)-6-(3-methoxysulfonylpropylamino)phenyl]propane-1-sulfonic acid Openeye Name: 3-[2-(acridin-9-ylamino)-4-(hydroxymethyl)-6-(3-methoxysulfonylpropylamino)phenyl]propane-1-sulfonic acid CAS Name: 3-[2-(9-acridinylamino)-4-(hydroxymethyl)-6-(3-methoxysulfonylpropylamino)phenyl]-1-propanesulfonic acid IUPAC Name: 3-[2-(acridin-9-ylamino)-4-(hydroxymethyl)-6-(3-methoxysulfonylpropylamino)phenyl]propane-1-sulfonic acid Traditional Name: 3-[2-(acridin-9-ylamino)-6-(3-methoxysulfonylpropylamino)-4-methylol-phenyl]propane-1-sulfonic acid Formula: C27H31N3O7S2 MolecularWeight: 573.68094

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Descriptors Computed from Structure

Canonical SMILES:

COS(=O)(=O)CCCNC1=CC(=CC(=C1CCCS(=O)(=O)O)NC2=C3C=CC=CC3=NC4=CC=CC=C42)CO

Isomeric SMILES

COS(=O)(=O)CCCNC1=CC(=CC(=C1CCCS(=O)(=O)O)NC2=C3C=CC=CC3=NC4=CC=CC=C42)CO

InChI

InChI=1S/C27H31N3O7S2/c1-37-39(35,36)15-7-13-28-25-16-19(18-31)17-26(20(25)10-6-14-38(32,33)34)30-27-21-8-2-4-11-23(21)29-24-12-5-3-9-22(24)27/h2-5,8-9,11-12,16-17,28,31H,6-7,10,13-15,18H2,1H3,(H,29,30)(H,32,33,34)