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

Systemtic Name: N-(3-ethanoylphenyl)-1-(6-pyrrolidin-1-ylsulfonylquinolin-2-yl)piperidine-3-carboxamide Openeye Name: N-(3-acetylphenyl)-1-(6-pyrrolidin-1-ylsulfonyl-2-quinolyl)piperidine-3-carboxamide CAS Name: N-(3-acetylphenyl)-1-[6-(1-pyrrolidinylsulfonyl)-2-quinolinyl]-3-piperidinecarboxamide IUPAC Name: N-(3-acetylphenyl)-1-(6-pyrrolidin-1-ylsulfonylquinolin-2-yl)piperidine-3-carboxamide Traditional Name: N-(3-acetylphenyl)-1-(6-pyrrolidinosulfonyl-2-quinolyl)nipecotamide Formula: C27H30N4O4S MolecularWeight: 506.6165

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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)N5CCCC5

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)NC(=O)C2CCCN(C2)C3=NC4=C(C=C3)C=C(C=C4)S(=O)(=O)N5CCCC5

InChI

InChI=1S/C27H30N4O4S/c1-19(32)20-6-4-8-23(16-20)28-27(33)22-7-5-13-30(18-22)26-12-9-21-17-24(10-11-25(21)29-26)36(34,35)31-14-2-3-15-31/h4,6,8-12,16-17,22H,2-3,5,7,13-15,18H2,1H3,(H,28,33)