8-[(3,4-dichlorophenyl)sulfonylamino]-4-(3-pyridin-3-ylpropyl)octanoic acid

Systemtic Name: 8-[(3,4-dichlorophenyl)sulfonylamino]-4-(3-pyridin-3-ylpropyl)octanoic acid Openeye Name: 8-[(3,4-dichlorophenyl)sulfonylamino]-4-[3-(3-pyridyl)propyl]octanoic acid CAS Name: 8-[(3,4-dichlorophenyl)sulfonylamino]-4-[3-(3-pyridinyl)propyl]octanoic acid IUPAC Name: 8-[(3,4-dichlorophenyl)sulfonylamino]-4-(3-pyridin-3-ylpropyl)octanoic acid Traditional Name: 8-[(3,4-dichlorophenyl)sulfonylamino]-4-[3-(3-pyridyl)propyl]caprylic acid Formula: C22H28Cl2N2O4S MolecularWeight: 487.43972

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CCCC(CCCCNS(=O)(=O)C2=CC(=C(C=C2)Cl)Cl)CCC(=O)O

Isomeric SMILES

C1=CC(=CN=C1)CCCC(CCCCNS(=O)(=O)C2=CC(=C(C=C2)Cl)Cl)CCC(=O)O

InChI

InChI=1S/C22H28Cl2N2O4S/c23-20-11-10-19(15-21(20)24)31(29,30)26-14-2-1-5-17(9-12-22(27)28)6-3-7-18-8-4-13-25-16-18/h4,8,10-11,13,15-17,26H,1-3,5-7,9,12,14H2,(H,27,28)