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

Systemtic Name: 4-[4-[4-(4-propylsulfanylpiperidin-1-yl)phenyl]piperazin-1-yl]benzoic acid Openeye Name: 4-[4-[4-(4-propylsulfanyl-1-piperidyl)phenyl]piperazin-1-yl]benzoic acid CAS Name: 4-[4-[4-[4-(propylthio)-1-piperidinyl]phenyl]-1-piperazinyl]benzoic acid IUPAC Name: 4-[4-[4-(4-propylsulfanylpiperidin-1-yl)phenyl]piperazin-1-yl]benzoic acid Traditional Name: 4-[4-[4-[4-(propylthio)piperidino]phenyl]piperazino]benzoic acid Formula: C25H33N3O2S MolecularWeight: 439.61342

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1CCN(CC1)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

CCCSC1CCN(CC1)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C25H33N3O2S/c1-2-19-31-24-11-13-26(14-12-24)22-7-9-23(10-8-22)28-17-15-27(16-18-28)21-5-3-20(4-6-21)25(29)30/h3-10,24H,2,11-19H2,1H3,(H,29,30)