2-[[2-[(2-carboxyphenyl)amino]-4-propylsulfinyl-phenyl]amino]benzoic acid

Systemtic Name: 2-[[2-[(2-carboxyphenyl)amino]-4-propylsulfinyl-phenyl]amino]benzoic acid Openeye Name: 2-[2-(2-carboxyanilino)-4-propylsulfinyl-anilino]benzoic acid CAS Name: 2-[2-(2-carboxyanilino)-4-propylsulfinylanilino]benzoic acid IUPAC Name: 2-[2-(2-carboxyanilino)-4-propylsulfinylanilino]benzoic acid Traditional Name: 2-[2-(2-carboxyanilino)-4-propylsulfinyl-anilino]benzoic acid Formula: C23H22N2O5S MolecularWeight: 438.49618

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)C1=CC(=C(C=C1)NC2=CC=CC=C2C(=O)O)NC3=CC=CC=C3C(=O)O

Isomeric SMILES

CCCS(=O)C1=CC(=C(C=C1)NC2=CC=CC=C2C(=O)O)NC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C23H22N2O5S/c1-2-13-31(30)15-11-12-20(24-18-9-5-3-7-16(18)22(26)27)21(14-15)25-19-10-6-4-8-17(19)23(28)29/h3-12,14,24-25H,2,13H2,1H3,(H,26,27)(H,28,29)