3-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]carbonyl-1-ethyl-6-piperidin-1-ylsulfonyl-quinolin-4-one

Systemtic Name: 3-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]carbonyl-1-ethyl-6-piperidin-1-ylsulfonyl-quinolin-4-one Openeye Name: 3-[4-(5-chloro-2-methyl-phenyl)piperazine-1-carbonyl]-1-ethyl-6-(1-piperidylsulfonyl)quinolin-4-one CAS Name: 3-[[4-(5-chloro-2-methylphenyl)-1-piperazinyl]-oxomethyl]-1-ethyl-6-(1-piperidinylsulfonyl)-4-quinolinone IUPAC Name: 3-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-1-ethyl-6-piperidin-1-ylsulfonylquinolin-4-one Traditional Name: 3-[4-(5-chloro-2-methyl-phenyl)piperazine-1-carbonyl]-1-ethyl-6-piperidinosulfonyl-4-quinolone Formula: C28H33ClN4O4S MolecularWeight: 557.10402

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=C1C=CC(=C2)S(=O)(=O)N3CCCCC3)C(=O)N4CCN(CC4)C5=C(C=CC(=C5)Cl)C

Isomeric SMILES

CCN1C=C(C(=O)C2=C1C=CC(=C2)S(=O)(=O)N3CCCCC3)C(=O)N4CCN(CC4)C5=C(C=CC(=C5)Cl)C

InChI

InChI=1S/C28H33ClN4O4S/c1-3-30-19-24(28(35)32-15-13-31(14-16-32)26-17-21(29)8-7-20(26)2)27(34)23-18-22(9-10-25(23)30)38(36,37)33-11-5-4-6-12-33/h7-10,17-19H,3-6,11-16H2,1-2H3