4-[(pyridin-3-ylsulfonylamino)methyl]benzoic acid

Systemtic Name: 4-[(pyridin-3-ylsulfonylamino)methyl]benzoic acid Openeye Name: 4-[(3-pyridylsulfonylamino)methyl]benzoic acid CAS Name: 4-[(3-pyridinylsulfonylamino)methyl]benzoic acid IUPAC Name: 4-[(pyridin-3-ylsulfonylamino)methyl]benzoic acid Traditional Name: 4-[(3-pyridylsulfonylamino)methyl]benzoic acid Formula: C13H12N2O4S MolecularWeight: 292.31038

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)S(=O)(=O)NCC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

C1=CC(=CN=C1)S(=O)(=O)NCC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C13H12N2O4S/c16-13(17)11-5-3-10(4-6-11)8-15-20(18,19)12-2-1-7-14-9-12/h1-7,9,15H,8H2,(H,16,17)