8-[[2-[(4-chlorophenyl)sulfonylamino]-3-pyridin-3-yloxy-propanoyl]amino]octanoic acid

Systemtic Name: 8-[[2-[(4-chlorophenyl)sulfonylamino]-3-pyridin-3-yloxy-propanoyl]amino]octanoic acid Openeye Name: 8-[[2-[(4-chlorophenyl)sulfonylamino]-3-(3-pyridyloxy)propanoyl]amino]octanoic acid CAS Name: 8-[[2-[(4-chlorophenyl)sulfonylamino]-1-oxo-3-(3-pyridinyloxy)propyl]amino]octanoic acid IUPAC Name: 8-[[2-[(4-chlorophenyl)sulfonylamino]-3-pyridin-3-yloxypropanoyl]amino]octanoic acid Traditional Name: 8-[[2-[(4-chlorophenyl)sulfonylamino]-3-(3-pyridyloxy)propanoyl]amino]caprylic acid Formula: C22H28ClN3O6S MolecularWeight: 497.99222

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)OCC(C(=O)NCCCCCCCC(=O)O)NS(=O)(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

C1=CC(=CN=C1)OCC(C(=O)NCCCCCCCC(=O)O)NS(=O)(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C22H28ClN3O6S/c23-17-9-11-19(12-10-17)33(30,31)26-20(16-32-18-7-6-13-24-15-18)22(29)25-14-5-3-1-2-4-8-21(27)28/h6-7,9-13,15,20,26H,1-5,8,14,16H2,(H,25,29)(H,27,28)