2-[(4-piperidin-1-ylphenyl)sulfanylmethyl]benzoic acid

Systemtic Name: 2-[(4-piperidin-1-ylphenyl)sulfanylmethyl]benzoic acid Openeye Name: 2-[[4-(1-piperidyl)phenyl]sulfanylmethyl]benzoic acid CAS Name: 2-[[[4-(1-piperidinyl)phenyl]thio]methyl]benzoic acid IUPAC Name: 2-[(4-piperidin-1-ylphenyl)sulfanylmethyl]benzoic acid Traditional Name: 2-[[(4-piperidinophenyl)thio]methyl]benzoic acid Formula: C19H21NO2S MolecularWeight: 327.44054

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC=C(C=C2)SCC3=CC=CC=C3C(=O)O

Isomeric SMILES

C1CCN(CC1)C2=CC=C(C=C2)SCC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C19H21NO2S/c21-19(22)18-7-3-2-6-15(18)14-23-17-10-8-16(9-11-17)20-12-4-1-5-13-20/h2-3,6-11H,1,4-5,12-14H2,(H,21,22)