3-[4-(2,5-dimethylphenyl)piperazin-1-yl]carbonyl-1-ethyl-6-piperidin-1-ylsulfonyl-quinolin-4-one

Systemtic Name: 3-[4-(2,5-dimethylphenyl)piperazin-1-yl]carbonyl-1-ethyl-6-piperidin-1-ylsulfonyl-quinolin-4-one Openeye Name: 3-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-1-ethyl-6-(1-piperidylsulfonyl)quinolin-4-one CAS Name: 3-[[4-(2,5-dimethylphenyl)-1-piperazinyl]-oxomethyl]-1-ethyl-6-(1-piperidinylsulfonyl)-4-quinolinone IUPAC Name: 3-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-1-ethyl-6-piperidin-1-ylsulfonylquinolin-4-one Traditional Name: 3-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-1-ethyl-6-piperidinosulfonyl-4-quinolone Formula: C29H36N4O4S MolecularWeight: 536.68554

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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)C)C

Isomeric SMILES

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

InChI

InChI=1S/C29H36N4O4S/c1-4-30-20-25(29(35)32-16-14-31(15-17-32)27-18-21(2)8-9-22(27)3)28(34)24-19-23(10-11-26(24)30)38(36,37)33-12-6-5-7-13-33/h8-11,18-20H,4-7,12-17H2,1-3H3