2-[4-(2-piperazin-1-ylethoxy)phenyl]sulfonyloctanoic acid

Systemtic Name: 2-[4-(2-piperazin-1-ylethoxy)phenyl]sulfonyloctanoic acid Openeye Name: 2-[4-(2-piperazin-1-ylethoxy)phenyl]sulfonyloctanoic acid CAS Name: 2-[4-[2-(1-piperazinyl)ethoxy]phenyl]sulfonyloctanoic acid IUPAC Name: 2-[4-(2-piperazin-1-ylethoxy)phenyl]sulfonyloctanoic acid Traditional Name: 2-[4-(2-piperazinoethoxy)phenyl]sulfonylcaprylic acid Formula: C20H32N2O5S MolecularWeight: 412.54348

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(=O)O)S(=O)(=O)C1=CC=C(C=C1)OCCN2CCNCC2

Isomeric SMILES

CCCCCCC(C(=O)O)S(=O)(=O)C1=CC=C(C=C1)OCCN2CCNCC2

InChI

InChI=1S/C20H32N2O5S/c1-2-3-4-5-6-19(20(23)24)28(25,26)18-9-7-17(8-10-18)27-16-15-22-13-11-21-12-14-22/h7-10,19,21H,2-6,11-16H2,1H3,(H,23,24)