N-[(2-chlorophenyl)methyl]-1-(6-piperidin-1-ylsulfonylquinolin-2-yl)piperidine-3-carboxamide

Systemtic Name: N-[(2-chlorophenyl)methyl]-1-(6-piperidin-1-ylsulfonylquinolin-2-yl)piperidine-3-carboxamide Openeye Name: N-[(2-chlorophenyl)methyl]-1-[6-(1-piperidylsulfonyl)-2-quinolyl]piperidine-3-carboxamide CAS Name: N-[(2-chlorophenyl)methyl]-1-[6-(1-piperidinylsulfonyl)-2-quinolinyl]-3-piperidinecarboxamide IUPAC Name: N-[(2-chlorophenyl)methyl]-1-(6-piperidin-1-ylsulfonylquinolin-2-yl)piperidine-3-carboxamide Traditional Name: N-(2-chlorobenzyl)-1-(6-piperidinosulfonyl-2-quinolyl)nipecotamide 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)N4CCCC(C4)C(=O)NCC5=CC=CC=C5Cl

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N=C(C=C3)N4CCCC(C4)C(=O)NCC5=CC=CC=C5Cl

InChI

InChI=1S/C27H31ClN4O3S/c28-24-9-3-2-7-21(24)18-29-27(33)22-8-6-14-31(19-22)26-13-10-20-17-23(11-12-25(20)30-26)36(34,35)32-15-4-1-5-16-32/h2-3,7,9-13,17,22H,1,4-6,8,14-16,18-19H2,(H,29,33)