5-(4-cyanophenyl)-2-(octylsulfonylamino)benzoic acid

Systemtic Name: 5-(4-cyanophenyl)-2-(octylsulfonylamino)benzoic acid Openeye Name: 5-(4-cyanophenyl)-2-(octylsulfonylamino)benzoic acid CAS Name: 5-(4-cyanophenyl)-2-(octylsulfonylamino)benzoic acid IUPAC Name: 5-(4-cyanophenyl)-2-(octylsulfonylamino)benzoic acid Traditional Name: 5-(4-cyanophenyl)-2-(octylsulfonylamino)benzoic acid Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCS(=O)(=O)NC1=C(C=C(C=C1)C2=CC=C(C=C2)C#N)C(=O)O

Isomeric SMILES

CCCCCCCCS(=O)(=O)NC1=C(C=C(C=C1)C2=CC=C(C=C2)C#N)C(=O)O

InChI

InChI=1S/C22H26N2O4S/c1-2-3-4-5-6-7-14-29(27,28)24-21-13-12-19(15-20(21)22(25)26)18-10-8-17(16-23)9-11-18/h8-13,15,24H,2-7,14H2,1H3,(H,25,26)