2-(octylsulfonylamino)-5-pyridin-3-yl-benzoic acid

Systemtic Name: 2-(octylsulfonylamino)-5-pyridin-3-yl-benzoic acid Openeye Name: 2-(octylsulfonylamino)-5-(3-pyridyl)benzoic acid CAS Name: 2-(octylsulfonylamino)-5-(3-pyridinyl)benzoic acid IUPAC Name: 2-(octylsulfonylamino)-5-pyridin-3-ylbenzoic acid Traditional Name: 2-(octylsulfonylamino)-5-(3-pyridyl)benzoic acid Formula: C20H26N2O4S MolecularWeight: 390.49644

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N2O4S/c1-2-3-4-5-6-7-13-27(25,26)22-19-11-10-16(14-18(19)20(23)24)17-9-8-12-21-15-17/h8-12,14-15,22H,2-7,13H2,1H3,(H,23,24)