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

Systemtic Name: N-[(3-methylphenyl)methyl]-1-(6-piperidin-1-ylsulfonylquinolin-2-yl)piperidine-3-carboxamide Openeye Name: N-(m-tolylmethyl)-1-[6-(1-piperidylsulfonyl)-2-quinolyl]piperidine-3-carboxamide CAS Name: N-[(3-methylphenyl)methyl]-1-[6-(1-piperidinylsulfonyl)-2-quinolinyl]-3-piperidinecarboxamide IUPAC Name: N-[(3-methylphenyl)methyl]-1-(6-piperidin-1-ylsulfonylquinolin-2-yl)piperidine-3-carboxamide Traditional Name: N-(3-methylbenzyl)-1-(6-piperidinosulfonyl-2-quinolyl)nipecotamide Formula: C28H34N4O3S MolecularWeight: 506.65956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CNC(=O)C2CCCN(C2)C3=NC4=C(C=C3)C=C(C=C4)S(=O)(=O)N5CCCCC5

Isomeric SMILES

CC1=CC(=CC=C1)CNC(=O)C2CCCN(C2)C3=NC4=C(C=C3)C=C(C=C4)S(=O)(=O)N5CCCCC5

InChI

InChI=1S/C28H34N4O3S/c1-21-7-5-8-22(17-21)19-29-28(33)24-9-6-14-31(20-24)27-13-10-23-18-25(11-12-26(23)30-27)36(34,35)32-15-3-2-4-16-32/h5,7-8,10-13,17-18,24H,2-4,6,9,14-16,19-20H2,1H3,(H,29,33)