2-(octylsulfonylamino)-5-pyrimidin-5-yl-benzoic acid

Systemtic Name: 2-(octylsulfonylamino)-5-pyrimidin-5-yl-benzoic acid Openeye Name: 2-(octylsulfonylamino)-5-pyrimidin-5-yl-benzoic acid CAS Name: 2-(octylsulfonylamino)-5-(5-pyrimidinyl)benzoic acid IUPAC Name: 2-(octylsulfonylamino)-5-pyrimidin-5-ylbenzoic acid Traditional Name: 2-(octylsulfonylamino)-5-(5-pyrimidyl)benzoic acid Formula: C19H25N3O4S MolecularWeight: 391.4845

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCS(=O)(=O)NC1=C(C=C(C=C1)C2=CN=CN=C2)C(=O)O

Isomeric SMILES

CCCCCCCCS(=O)(=O)NC1=C(C=C(C=C1)C2=CN=CN=C2)C(=O)O

InChI

InChI=1S/C19H25N3O4S/c1-2-3-4-5-6-7-10-27(25,26)22-18-9-8-15(11-17(18)19(23)24)16-12-20-14-21-13-16/h8-9,11-14,22H,2-7,10H2,1H3,(H,23,24)