4-[4-[4-(7-methoxyheptylsulfanyl)phenyl]piperazin-1-yl]benzoic acid

Systemtic Name: 4-[4-[4-(7-methoxyheptylsulfanyl)phenyl]piperazin-1-yl]benzoic acid Openeye Name: 4-[4-[4-(7-methoxyheptylsulfanyl)phenyl]piperazin-1-yl]benzoic acid CAS Name: 4-[4-[4-(7-methoxyheptylthio)phenyl]-1-piperazinyl]benzoic acid IUPAC Name: 4-[4-[4-(7-methoxyheptylsulfanyl)phenyl]piperazin-1-yl]benzoic acid Traditional Name: 4-[4-[4-(7-methoxyheptylthio)phenyl]piperazino]benzoic acid Formula: C25H34N2O3S MolecularWeight: 442.61406

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Descriptors Computed from Structure

Canonical SMILES:

COCCCCCCCSC1=CC=C(C=C1)N2CCN(CC2)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

COCCCCCCCSC1=CC=C(C=C1)N2CCN(CC2)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C25H34N2O3S/c1-30-19-5-3-2-4-6-20-31-24-13-11-23(12-14-24)27-17-15-26(16-18-27)22-9-7-21(8-10-22)25(28)29/h7-14H,2-6,15-20H2,1H3,(H,28,29)