2-[(4-chlorophenyl)methyl]-9-methylsulfonyl-3-oxidanyl-8,10-dihydro-7H-1,9-phenanthroline-4-carboxylic acid

Systemtic Name: 2-[(4-chlorophenyl)methyl]-9-methylsulfonyl-3-oxidanyl-8,10-dihydro-7H-1,9-phenanthroline-4-carboxylic acid Openeye Name: 2-[(4-chlorophenyl)methyl]-3-hydroxy-9-methylsulfonyl-8,10-dihydro-7H-1,9-phenanthroline-4-carboxylic acid CAS Name: 2-[(4-chlorophenyl)methyl]-3-hydroxy-9-methylsulfonyl-8,10-dihydro-7H-1,9-phenanthroline-4-carboxylic acid IUPAC Name: 2-[(4-chlorophenyl)methyl]-3-hydroxy-9-methylsulfonyl-8,10-dihydro-7H-1,9-phenanthroline-4-carboxylic acid Traditional Name: 2-(4-chlorobenzyl)-3-hydroxy-9-mesyl-8,10-dihydro-7H-1,9-phenanthroline-4-carboxylic acid Formula: C21H19ClN2O5S MolecularWeight: 446.90396

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC2=C(C1)C3=NC(=C(C(=C3C=C2)C(=O)O)O)CC4=CC=C(C=C4)Cl

Isomeric SMILES

CS(=O)(=O)N1CCC2=C(C1)C3=NC(=C(C(=C3C=C2)C(=O)O)O)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H19ClN2O5S/c1-30(28,29)24-9-8-13-4-7-15-18(21(26)27)20(25)17(23-19(15)16(13)11-24)10-12-2-5-14(22)6-3-12/h2-7,25H,8-11H2,1H3,(H,26,27)