(4S)-8-[(4-chlorophenyl)sulfonylamino]-4-(2-pyridin-3-yloxyethyl)octanoic acid

Systemtic Name: (4S)-8-[(4-chlorophenyl)sulfonylamino]-4-(2-pyridin-3-yloxyethyl)octanoic acid Openeye Name: (4S)-8-[(4-chlorophenyl)sulfonylamino]-4-[2-(3-pyridyloxy)ethyl]octanoic acid CAS Name: (4S)-8-[(4-chlorophenyl)sulfonylamino]-4-[2-(3-pyridinyloxy)ethyl]octanoic acid IUPAC Name: (4S)-8-[(4-chlorophenyl)sulfonylamino]-4-(2-pyridin-3-yloxyethyl)octanoic acid Traditional Name: (4S)-8-[(4-chlorophenyl)sulfonylamino]-4-[2-(3-pyridyloxy)ethyl]caprylic acid Formula: C21H27ClN2O5S MolecularWeight: 454.96748

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=CC(=CN=C1)OCC[C@@H](CCCCNS(=O)(=O)C2=CC=C(C=C2)Cl)CCC(=O)O

InChI

InChI=1S/C21H27ClN2O5S/c22-18-7-9-20(10-8-18)30(27,28)24-14-2-1-4-17(6-11-21(25)26)12-15-29-19-5-3-13-23-16-19/h3,5,7-10,13,16-17,24H,1-2,4,6,11-12,14-15H2,(H,25,26)/t17-/m0/s1