4-[1-(4-phenylbutyl)piperidin-3-yl]sulfonylphenol hydrochloride

Systemtic Name: 4-[1-(4-phenylbutyl)piperidin-3-yl]sulfonylphenol hydrochloride Openeye Name: 4-[[1-(4-phenylbutyl)-3-piperidyl]sulfonyl]phenol hydrochloride CAS Name: 4-[[1-(4-phenylbutyl)-3-piperidinyl]sulfonyl]phenol hydrochloride IUPAC Name: 4-[1-(4-phenylbutyl)piperidin-3-yl]sulfonylphenol hydrochloride Traditional Name: 4-[[1-(4-phenylbutyl)-3-piperidyl]sulfonyl]phenol hydrochloride Formula: C21H28ClNO3S MolecularWeight: 409.96992

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CCCCC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)O.Cl

Isomeric SMILES

C1CC(CN(C1)CCCCC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)O.Cl

InChI

InChI=1S/C21H27NO3S.ClH/c23-19-11-13-20(14-12-19)26(24,25)21-10-6-16-22(17-21)15-5-4-9-18-7-2-1-3-8-18;/h1-3,7-8,11-14,21,23H,4-6,9-10,15-17H2;1H