3-[2-[3-(cyclohexylcarbamoyl)pyridin-2-yl]sulfanylethyl]benzoic acid

Systemtic Name: 3-[2-[3-(cyclohexylcarbamoyl)pyridin-2-yl]sulfanylethyl]benzoic acid Openeye Name: 3-[2-[[3-(cyclohexylcarbamoyl)-2-pyridyl]sulfanyl]ethyl]benzoic acid CAS Name: 3-[2-[[3-[(cyclohexylamino)-oxomethyl]-2-pyridinyl]thio]ethyl]benzoic acid IUPAC Name: 3-[2-[3-(cyclohexylcarbamoyl)pyridin-2-yl]sulfanylethyl]benzoic acid Traditional Name: 3-[2-[[3-(cyclohexylcarbamoyl)-2-pyridyl]thio]ethyl]benzoic acid Formula: C21H24N2O3S MolecularWeight: 384.49186

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)C2=C(N=CC=C2)SCCC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

C1CCC(CC1)NC(=O)C2=C(N=CC=C2)SCCC3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C21H24N2O3S/c24-19(23-17-8-2-1-3-9-17)18-10-5-12-22-20(18)27-13-11-15-6-4-7-16(14-15)21(25)26/h4-7,10,12,14,17H,1-3,8-9,11,13H2,(H,23,24)(H,25,26)