5-methyl-2-[3-[[4-(pyridin-2-ylmethylcarbamoyl)cyclohexyl]carbamoyl]pyridin-2-yl]oxy-benzenesulfonic acid

Systemtic Name: 5-methyl-2-[3-[[4-(pyridin-2-ylmethylcarbamoyl)cyclohexyl]carbamoyl]pyridin-2-yl]oxy-benzenesulfonic acid Openeye Name: 5-methyl-2-[[3-[[4-(2-pyridylmethylcarbamoyl)cyclohexyl]carbamoyl]-2-pyridyl]oxy]benzenesulfonic acid CAS Name: 5-methyl-2-[[3-[oxo-[[4-[oxo-(2-pyridinylmethylamino)methyl]cyclohexyl]amino]methyl]-2-pyridinyl]oxy]benzenesulfonic acid IUPAC Name: 5-methyl-2-[3-[[4-(pyridin-2-ylmethylcarbamoyl)cyclohexyl]carbamoyl]pyridin-2-yl]oxybenzenesulfonic acid Traditional Name: 5-methyl-2-[[3-[[4-(2-pyridylmethylcarbamoyl)cyclohexyl]carbamoyl]-2-pyridyl]oxy]besylic acid Formula: C26H28N4O6S MolecularWeight: 524.58872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC2=C(C=CC=N2)C(=O)NC3CCC(CC3)C(=O)NCC4=CC=CC=N4)S(=O)(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)OC2=C(C=CC=N2)C(=O)NC3CCC(CC3)C(=O)NCC4=CC=CC=N4)S(=O)(=O)O

InChI

InChI=1S/C26H28N4O6S/c1-17-7-12-22(23(15-17)37(33,34)35)36-26-21(6-4-14-28-26)25(32)30-19-10-8-18(9-11-19)24(31)29-16-20-5-2-3-13-27-20/h2-7,12-15,18-19H,8-11,16H2,1H3,(H,29,31)(H,30,32)(H,33,34,35)