3-[4-[[(4-chlorophenyl)sulfonylamino]-pyridin-3-yl-methyl]phenyl]propanoic acid

Systemtic Name: 3-[4-[[(4-chlorophenyl)sulfonylamino]-pyridin-3-yl-methyl]phenyl]propanoic acid Openeye Name: 3-[4-[[(4-chlorophenyl)sulfonylamino]-(3-pyridyl)methyl]phenyl]propanoic acid CAS Name: 3-[4-[[(4-chlorophenyl)sulfonylamino]-(3-pyridinyl)methyl]phenyl]propanoic acid IUPAC Name: 3-[4-[[(4-chlorophenyl)sulfonylamino]-pyridin-3-ylmethyl]phenyl]propanoic acid Traditional Name: 3-[4-[[(4-chlorophenyl)sulfonylamino]-(3-pyridyl)methyl]phenyl]propionic acid Formula: C21H19ClN2O4S MolecularWeight: 430.90456

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C(C2=CC=C(C=C2)CCC(=O)O)NS(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC(=CN=C1)C(C2=CC=C(C=C2)CCC(=O)O)NS(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H19ClN2O4S/c22-18-8-10-19(11-9-18)29(27,28)24-21(17-2-1-13-23-14-17)16-6-3-15(4-7-16)5-12-20(25)26/h1-4,6-11,13-14,21,24H,5,12H2,(H,25,26)