8-[3-[(4-chlorophenyl)sulfonylamino]phenyl]-8-pyridin-3-yl-octanoic acid

Systemtic Name: 8-[3-[(4-chlorophenyl)sulfonylamino]phenyl]-8-pyridin-3-yl-octanoic acid Openeye Name: 8-[3-[(4-chlorophenyl)sulfonylamino]phenyl]-8-(3-pyridyl)octanoic acid CAS Name: 8-[3-[(4-chlorophenyl)sulfonylamino]phenyl]-8-(3-pyridinyl)octanoic acid IUPAC Name: 8-[3-[(4-chlorophenyl)sulfonylamino]phenyl]-8-pyridin-3-yloctanoic acid Traditional Name: 8-[3-[(4-chlorophenyl)sulfonylamino]phenyl]-8-(3-pyridyl)caprylic acid Formula: C25H27ClN2O4S MolecularWeight: 487.01088

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H27ClN2O4S/c26-21-12-14-23(15-13-21)33(31,32)28-22-9-5-7-19(17-22)24(20-8-6-16-27-18-20)10-3-1-2-4-11-25(29)30/h5-9,12-18,24,28H,1-4,10-11H2,(H,29,30)