5-(dihexylsulfamoyl)-2-[(3-methoxyphenyl)methylsulfinyl]benzoic acid

Systemtic Name: 5-(dihexylsulfamoyl)-2-[(3-methoxyphenyl)methylsulfinyl]benzoic acid Openeye Name: 5-(dihexylsulfamoyl)-2-[(3-methoxyphenyl)methylsulfinyl]benzoic acid CAS Name: 5-(dihexylsulfamoyl)-2-[(3-methoxyphenyl)methylsulfinyl]benzoic acid IUPAC Name: 5-(dihexylsulfamoyl)-2-[(3-methoxyphenyl)methylsulfinyl]benzoic acid Traditional Name: 5-(dihexylsulfamoyl)-2-m-anisylsulfinyl-benzoic acid Formula: C27H39NO6S2 MolecularWeight: 537.73166

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN(CCCCCC)S(=O)(=O)C1=CC(=C(C=C1)S(=O)CC2=CC(=CC=C2)OC)C(=O)O

Isomeric SMILES

CCCCCCN(CCCCCC)S(=O)(=O)C1=CC(=C(C=C1)S(=O)CC2=CC(=CC=C2)OC)C(=O)O

InChI

InChI=1S/C27H39NO6S2/c1-4-6-8-10-17-28(18-11-9-7-5-2)36(32,33)24-15-16-26(25(20-24)27(29)30)35(31)21-22-13-12-14-23(19-22)34-3/h12-16,19-20H,4-11,17-18,21H2,1-3H3,(H,29,30)