4-[8-(3-methylsulfonylphenyl)-1,7-naphthyridin-6-yl]cyclohexane-1-carboxylic acid

Systemtic Name: 4-[8-(3-methylsulfonylphenyl)-1,7-naphthyridin-6-yl]cyclohexane-1-carboxylic acid Openeye Name: 4-[8-(3-methylsulfonylphenyl)-1,7-naphthyridin-6-yl]cyclohexanecarboxylic acid CAS Name: 4-[8-(3-methylsulfonylphenyl)-1,7-naphthyridin-6-yl]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[8-(3-methylsulfonylphenyl)-1,7-naphthyridin-6-yl]cyclohexane-1-carboxylic acid Traditional Name: 4-[8-(3-mesylphenyl)-1,7-naphthyridin-6-yl]cyclohexanecarboxylic acid Formula: C22H22N2O4S MolecularWeight: 410.48608

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC(=C1)C2=C3C(=CC(=N2)C4CCC(CC4)C(=O)O)C=CC=N3

Isomeric SMILES

CS(=O)(=O)C1=CC=CC(=C1)C2=C3C(=CC(=N2)C4CCC(CC4)C(=O)O)C=CC=N3

InChI

InChI=1S/C22H22N2O4S/c1-29(27,28)18-6-2-4-16(12-18)21-20-17(5-3-11-23-20)13-19(24-21)14-7-9-15(10-8-14)22(25)26/h2-6,11-15H,7-10H2,1H3,(H,25,26)