4-[4-[[(4-chlorophenyl)sulfonylamino]-pyridin-2-yl-methyl]phenyl]butanoic acid

Systemtic Name: 4-[4-[[(4-chlorophenyl)sulfonylamino]-pyridin-2-yl-methyl]phenyl]butanoic acid Openeye Name: 4-[4-[[(4-chlorophenyl)sulfonylamino]-(2-pyridyl)methyl]phenyl]butanoic acid CAS Name: 4-[4-[[(4-chlorophenyl)sulfonylamino]-(2-pyridinyl)methyl]phenyl]butanoic acid IUPAC Name: 4-[4-[[(4-chlorophenyl)sulfonylamino]-pyridin-2-ylmethyl]phenyl]butanoic acid Traditional Name: 4-[4-[[(4-chlorophenyl)sulfonylamino]-(2-pyridyl)methyl]phenyl]butyric acid Formula: C22H21ClN2O4S MolecularWeight: 444.93114

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)C(C2=CC=C(C=C2)CCCC(=O)O)NS(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC=NC(=C1)C(C2=CC=C(C=C2)CCCC(=O)O)NS(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H21ClN2O4S/c23-18-11-13-19(14-12-18)30(28,29)25-22(20-5-1-2-15-24-20)17-9-7-16(8-10-17)4-3-6-21(26)27/h1-2,5,7-15,22,25H,3-4,6H2,(H,26,27)