N-[(4-chlorophenyl)methyl]-1-(6-piperidin-1-ylsulfonylquinolin-2-yl)piperidine-4-carboxamide

Systemtic Name: N-[(4-chlorophenyl)methyl]-1-(6-piperidin-1-ylsulfonylquinolin-2-yl)piperidine-4-carboxamide Openeye Name: N-[(4-chlorophenyl)methyl]-1-[6-(1-piperidylsulfonyl)-2-quinolyl]piperidine-4-carboxamide CAS Name: N-[(4-chlorophenyl)methyl]-1-[6-(1-piperidinylsulfonyl)-2-quinolinyl]-4-piperidinecarboxamide IUPAC Name: N-[(4-chlorophenyl)methyl]-1-(6-piperidin-1-ylsulfonylquinolin-2-yl)piperidine-4-carboxamide Traditional Name: N-(4-chlorobenzyl)-1-(6-piperidinosulfonyl-2-quinolyl)isonipecotamide Formula: C27H31ClN4O3S MolecularWeight: 527.07804

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N=C(C=C3)N4CCC(CC4)C(=O)NCC5=CC=C(C=C5)Cl

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N=C(C=C3)N4CCC(CC4)C(=O)NCC5=CC=C(C=C5)Cl

InChI

InChI=1S/C27H31ClN4O3S/c28-23-7-4-20(5-8-23)19-29-27(33)21-12-16-31(17-13-21)26-11-6-22-18-24(9-10-25(22)30-26)36(34,35)32-14-2-1-3-15-32/h4-11,18,21H,1-3,12-17,19H2,(H,29,33)