N-[6-chloranyl-2-[3-(methylsulfonylcarbamoylamino)propyl]quinolin-5-yl]-2-cyclohexyl-ethanamide

Systemtic Name: N-[6-chloranyl-2-[3-(methylsulfonylcarbamoylamino)propyl]quinolin-5-yl]-2-cyclohexyl-ethanamide Openeye Name: N-[6-chloro-2-[3-(methylsulfonylcarbamoylamino)propyl]-5-quinolyl]-2-cyclohexyl-acetamide CAS Name: N-[6-chloro-2-[3-[[methanesulfonamido(oxo)methyl]amino]propyl]-5-quinolinyl]-2-cyclohexylacetamide IUPAC Name: N-[6-chloro-2-[3-(methylsulfonylcarbamoylamino)propyl]quinolin-5-yl]-2-cyclohexylacetamide Traditional Name: N-[6-chloro-2-[3-(mesylcarbamoylamino)propyl]-5-quinolyl]-2-cyclohexyl-acetamide Formula: C22H29ClN4O4S MolecularWeight: 481.00806

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC(=O)NCCCC1=NC2=C(C=C1)C(=C(C=C2)Cl)NC(=O)CC3CCCCC3

Isomeric SMILES

CS(=O)(=O)NC(=O)NCCCC1=NC2=C(C=C1)C(=C(C=C2)Cl)NC(=O)CC3CCCCC3

InChI

InChI=1S/C22H29ClN4O4S/c1-32(30,31)27-22(29)24-13-5-8-16-9-10-17-19(25-16)12-11-18(23)21(17)26-20(28)14-15-6-3-2-4-7-15/h9-12,15H,2-8,13-14H2,1H3,(H,26,28)(H2,24,27,29)