N-(1-adamantylmethyl)-6-chloranyl-2-[4-(methylsulfonylcarbamoyl)piperidin-1-yl]quinoline-5-carboxamide

Systemtic Name: N-(1-adamantylmethyl)-6-chloranyl-2-[4-(methylsulfonylcarbamoyl)piperidin-1-yl]quinoline-5-carboxamide Openeye Name: N-(1-adamantylmethyl)-6-chloro-2-[4-(methylsulfonylcarbamoyl)-1-piperidyl]quinoline-5-carboxamide CAS Name: N-(1-adamantylmethyl)-6-chloro-2-[4-[methanesulfonamido(oxo)methyl]-1-piperidinyl]-5-quinolinecarboxamide IUPAC Name: N-(1-adamantylmethyl)-6-chloro-2-[4-(methylsulfonylcarbamoyl)piperidin-1-yl]quinoline-5-carboxamide Traditional Name: N-(1-adamantylmethyl)-6-chloro-2-[4-(mesylcarbamoyl)piperidino]quinoline-5-carboxamide Formula: C28H35ClN4O4S MolecularWeight: 559.1199

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC(=O)C1CCN(CC1)C2=NC3=C(C=C2)C(=C(C=C3)Cl)C(=O)NCC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CS(=O)(=O)NC(=O)C1CCN(CC1)C2=NC3=C(C=C2)C(=C(C=C3)Cl)C(=O)NCC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C28H35ClN4O4S/c1-38(36,37)32-26(34)20-6-8-33(9-7-20)24-5-2-21-23(31-24)4-3-22(29)25(21)27(35)30-16-28-13-17-10-18(14-28)12-19(11-17)15-28/h2-5,17-20H,6-16H2,1H3,(H,30,35)(H,32,34)