2-[3-chloranyl-2-(diethylsulfamoyl)-5-methoxy-acridin-9-yl]sulfanylethanoic acid

Systemtic Name: 2-[3-chloranyl-2-(diethylsulfamoyl)-5-methoxy-acridin-9-yl]sulfanylethanoic acid Openeye Name: 2-[3-chloro-2-(diethylsulfamoyl)-5-methoxy-acridin-9-yl]sulfanylacetic acid CAS Name: 2-[[3-chloro-2-(diethylsulfamoyl)-5-methoxy-9-acridinyl]thio]acetic acid IUPAC Name: 2-[3-chloro-2-(diethylsulfamoyl)-5-methoxyacridin-9-yl]sulfanylacetic acid Traditional Name: 2-[[3-chloro-2-(diethylsulfamoyl)-5-methoxy-acridin-9-yl]thio]acetic acid Formula: C20H21ClN2O5S2 MolecularWeight: 468.97414

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=C(C=C2C(=C1)C(=C3C=CC=C(C3=N2)OC)SCC(=O)O)Cl

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=C(C=C2C(=C1)C(=C3C=CC=C(C3=N2)OC)SCC(=O)O)Cl

InChI

InChI=1S/C20H21ClN2O5S2/c1-4-23(5-2)30(26,27)17-9-13-15(10-14(17)21)22-19-12(7-6-8-16(19)28-3)20(13)29-11-18(24)25/h6-10H,4-5,11H2,1-3H3,(H,24,25)