methyl 2-[[3-(acridin-9-ylamino)-5-(hydroxymethyl)phenyl]amino]ethanesulfonate

Systemtic Name: methyl 2-[[3-(acridin-9-ylamino)-5-(hydroxymethyl)phenyl]amino]ethanesulfonate Openeye Name: methyl 2-[3-(acridin-9-ylamino)-5-(hydroxymethyl)anilino]ethanesulfonate CAS Name: 2-[3-(9-acridinylamino)-5-(hydroxymethyl)anilino]ethanesulfonic acid methyl ester IUPAC Name: methyl 2-[3-(acridin-9-ylamino)-5-(hydroxymethyl)anilino]ethanesulfonate Traditional Name: 2-[3-(acridin-9-ylamino)-5-methylol-anilino]ethanesulfonic acid methyl ester Formula: C23H23N3O4S MolecularWeight: 437.51142

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Descriptors Computed from Structure

Canonical SMILES:

COS(=O)(=O)CCNC1=CC(=CC(=C1)NC2=C3C=CC=CC3=NC4=CC=CC=C42)CO

Isomeric SMILES

COS(=O)(=O)CCNC1=CC(=CC(=C1)NC2=C3C=CC=CC3=NC4=CC=CC=C42)CO

InChI

InChI=1S/C23H23N3O4S/c1-30-31(28,29)11-10-24-17-12-16(15-27)13-18(14-17)25-23-19-6-2-4-8-21(19)26-22-9-5-3-7-20(22)23/h2-9,12-14,24,27H,10-11,15H2,1H3,(H,25,26)