4-[3-(butylsulfamoyl)-4-methyl-phenyl]-1,10-phenanthroline-2,9-dicarboxylic acid

Systemtic Name: 4-[3-(butylsulfamoyl)-4-methyl-phenyl]-1,10-phenanthroline-2,9-dicarboxylic acid Openeye Name: 4-[3-(butylsulfamoyl)-4-methyl-phenyl]-1,10-phenanthroline-2,9-dicarboxylic acid CAS Name: 4-[3-(butylsulfamoyl)-4-methylphenyl]-1,10-phenanthroline-2,9-dicarboxylic acid IUPAC Name: 4-[3-(butylsulfamoyl)-4-methylphenyl]-1,10-phenanthroline-2,9-dicarboxylic acid Traditional Name: 4-[3-(butylsulfamoyl)-4-methyl-phenyl]-1,10-phenanthroline-2,9-dicarboxylic acid Formula: C25H23N3O6S MolecularWeight: 493.53162

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNS(=O)(=O)C1=C(C=CC(=C1)C2=CC(=NC3=C2C=CC4=C3N=C(C=C4)C(=O)O)C(=O)O)C

Isomeric SMILES

CCCCNS(=O)(=O)C1=C(C=CC(=C1)C2=CC(=NC3=C2C=CC4=C3N=C(C=C4)C(=O)O)C(=O)O)C

InChI

InChI=1S/C25H23N3O6S/c1-3-4-11-26-35(33,34)21-12-16(6-5-14(21)2)18-13-20(25(31)32)28-23-17(18)9-7-15-8-10-19(24(29)30)27-22(15)23/h5-10,12-13,26H,3-4,11H2,1-2H3,(H,29,30)(H,31,32)