6-chloranyl-N-(cyclohexylmethyl)-2-[3-(methylsulfonylcarbamoylamino)propyl]quinoline-5-carboxamide

Systemtic Name: 6-chloranyl-N-(cyclohexylmethyl)-2-[3-(methylsulfonylcarbamoylamino)propyl]quinoline-5-carboxamide Openeye Name: 6-chloro-N-(cyclohexylmethyl)-2-[3-(methylsulfonylcarbamoylamino)propyl]quinoline-5-carboxamide CAS Name: 6-chloro-N-(cyclohexylmethyl)-2-[3-[[methanesulfonamido(oxo)methyl]amino]propyl]-5-quinolinecarboxamide IUPAC Name: 6-chloro-N-(cyclohexylmethyl)-2-[3-(methylsulfonylcarbamoylamino)propyl]quinoline-5-carboxamide Traditional Name: 6-chloro-N-(cyclohexylmethyl)-2-[3-(mesylcarbamoylamino)propyl]quinoline-5-carboxamide 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)C(=O)NCC3CCCCC3

Isomeric SMILES

CS(=O)(=O)NC(=O)NCCCC1=NC2=C(C=C1)C(=C(C=C2)Cl)C(=O)NCC3CCCCC3

InChI

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