2-[3-chloranyl-2-(diethylsulfamoyl)-5,7-dimethyl-acridin-9-yl]sulfanylethanoic acid

Systemtic Name: 2-[3-chloranyl-2-(diethylsulfamoyl)-5,7-dimethyl-acridin-9-yl]sulfanylethanoic acid Openeye Name: 2-[3-chloro-2-(diethylsulfamoyl)-5,7-dimethyl-acridin-9-yl]sulfanylacetic acid CAS Name: 2-[[3-chloro-2-(diethylsulfamoyl)-5,7-dimethyl-9-acridinyl]thio]acetic acid IUPAC Name: 2-[3-chloro-2-(diethylsulfamoyl)-5,7-dimethylacridin-9-yl]sulfanylacetic acid Traditional Name: 2-[[3-chloro-2-(diethylsulfamoyl)-5,7-dimethyl-acridin-9-yl]thio]acetic acid Formula: C21H23ClN2O4S2 MolecularWeight: 467.00132

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC2=C(C3=CC(=CC(=C3N=C2C=C1Cl)C)C)SCC(=O)O

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC2=C(C3=CC(=CC(=C3N=C2C=C1Cl)C)C)SCC(=O)O

InChI

InChI=1S/C21H23ClN2O4S2/c1-5-24(6-2)30(27,28)18-9-14-17(10-16(18)22)23-20-13(4)7-12(3)8-15(20)21(14)29-11-19(25)26/h7-10H,5-6,11H2,1-4H3,(H,25,26)