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

Systemtic Name: 3-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]carbonyl-1-methyl-6-piperidin-1-ylsulfonyl-quinolin-4-one Openeye Name: 3-[4-(5-chloro-2-methyl-phenyl)piperazine-1-carbonyl]-1-methyl-6-(1-piperidylsulfonyl)quinolin-4-one CAS Name: 3-[[4-(5-chloro-2-methylphenyl)-1-piperazinyl]-oxomethyl]-1-methyl-6-(1-piperidinylsulfonyl)-4-quinolinone IUPAC Name: 3-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-1-methyl-6-piperidin-1-ylsulfonylquinolin-4-one Traditional Name: 3-[4-(5-chloro-2-methyl-phenyl)piperazine-1-carbonyl]-1-methyl-6-piperidinosulfonyl-4-quinolone Formula: C27H31ClN4O4S MolecularWeight: 543.07744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=O)C3=CN(C4=C(C3=O)C=C(C=C4)S(=O)(=O)N5CCCCC5)C

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=O)C3=CN(C4=C(C3=O)C=C(C=C4)S(=O)(=O)N5CCCCC5)C

InChI

InChI=1S/C27H31ClN4O4S/c1-19-6-7-20(28)16-25(19)30-12-14-31(15-13-30)27(34)23-18-29(2)24-9-8-21(17-22(24)26(23)33)37(35,36)32-10-4-3-5-11-32/h6-9,16-18H,3-5,10-15H2,1-2H3