3-[[3-(acridin-9-ylamino)-5-(hydroxymethyl)phenyl]amino]propane-1-sulfinic acid

Systemtic Name: 3-[[3-(acridin-9-ylamino)-5-(hydroxymethyl)phenyl]amino]propane-1-sulfinic acid Openeye Name: 3-[3-(acridin-9-ylamino)-5-(hydroxymethyl)anilino]propane-1-sulfinic acid CAS Name: 3-[3-(9-acridinylamino)-5-(hydroxymethyl)anilino]-1-propanesulfinic acid IUPAC Name: 3-[3-(acridin-9-ylamino)-5-(hydroxymethyl)anilino]propane-1-sulfinic acid Traditional Name: 3-[3-(acridin-9-ylamino)-5-methylol-anilino]propane-1-sulfinic acid Formula: C23H23N3O3S MolecularWeight: 421.51202

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23N3O3S/c27-15-16-12-17(24-10-5-11-30(28)29)14-18(13-16)25-23-19-6-1-3-8-21(19)26-22-9-4-2-7-20(22)23/h1-4,6-9,12-14,24,27H,5,10-11,15H2,(H,25,26)(H,28,29)