N-(3-ethanoylphenyl)-1-(6-piperidin-1-ylsulfonylquinolin-2-yl)piperidine-3-carboxamide

Systemtic Name: N-(3-ethanoylphenyl)-1-(6-piperidin-1-ylsulfonylquinolin-2-yl)piperidine-3-carboxamide Openeye Name: N-(3-acetylphenyl)-1-[6-(1-piperidylsulfonyl)-2-quinolyl]piperidine-3-carboxamide CAS Name: N-(3-acetylphenyl)-1-[6-(1-piperidinylsulfonyl)-2-quinolinyl]-3-piperidinecarboxamide IUPAC Name: N-(3-acetylphenyl)-1-(6-piperidin-1-ylsulfonylquinolin-2-yl)piperidine-3-carboxamide Traditional Name: N-(3-acetylphenyl)-1-(6-piperidinosulfonyl-2-quinolyl)nipecotamide Formula: C28H32N4O4S MolecularWeight: 520.64308

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H32N4O4S/c1-20(33)21-7-5-9-24(17-21)29-28(34)23-8-6-14-31(19-23)27-13-10-22-18-25(11-12-26(22)30-27)37(35,36)32-15-3-2-4-16-32/h5,7,9-13,17-18,23H,2-4,6,8,14-16,19H2,1H3,(H,29,34)