4-[4-[4-[4-(6-methoxyhexylsulfanyl)piperidin-1-yl]phenyl]piperazin-1-yl]benzoic acid

Systemtic Name: 4-[4-[4-[4-(6-methoxyhexylsulfanyl)piperidin-1-yl]phenyl]piperazin-1-yl]benzoic acid Openeye Name: 4-[4-[4-[4-(6-methoxyhexylsulfanyl)-1-piperidyl]phenyl]piperazin-1-yl]benzoic acid CAS Name: 4-[4-[4-[4-(6-methoxyhexylthio)-1-piperidinyl]phenyl]-1-piperazinyl]benzoic acid IUPAC Name: 4-[4-[4-[4-(6-methoxyhexylsulfanyl)piperidin-1-yl]phenyl]piperazin-1-yl]benzoic acid Traditional Name: 4-[4-[4-[4-(6-methoxyhexylthio)piperidino]phenyl]piperazino]benzoic acid Formula: C29H41N3O3S MolecularWeight: 511.71914

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Descriptors Computed from Structure

Canonical SMILES:

COCCCCCCSC1CCN(CC1)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

COCCCCCCSC1CCN(CC1)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C29H41N3O3S/c1-35-22-4-2-3-5-23-36-28-14-16-30(17-15-28)26-10-12-27(13-11-26)32-20-18-31(19-21-32)25-8-6-24(7-9-25)29(33)34/h6-13,28H,2-5,14-23H2,1H3,(H,33,34)