[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-(2,6-dimethylquinolin-3-yl)methanone

Systemtic Name: [4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-(2,6-dimethylquinolin-3-yl)methanone Openeye Name: [4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-(2,6-dimethyl-3-quinolyl)methanone CAS Name: [4-(2,5-dimethylphenyl)sulfonyl-1-piperazinyl]-(2,6-dimethyl-3-quinolinyl)methanone IUPAC Name: [4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-(2,6-dimethylquinolin-3-yl)methanone Traditional Name: [4-(2,5-dimethylphenyl)sulfonylpiperazino]-(2,6-dimethyl-3-quinolyl)methanone Formula: C24H27N3O3S MolecularWeight: 437.55448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC(=C(N=C2C=C1)C)C(=O)N3CCN(CC3)S(=O)(=O)C4=C(C=CC(=C4)C)C

Isomeric SMILES

CC1=CC2=CC(=C(N=C2C=C1)C)C(=O)N3CCN(CC3)S(=O)(=O)C4=C(C=CC(=C4)C)C

InChI

InChI=1S/C24H27N3O3S/c1-16-6-8-22-20(13-16)15-21(19(4)25-22)24(28)26-9-11-27(12-10-26)31(29,30)23-14-17(2)5-7-18(23)3/h5-8,13-15H,9-12H2,1-4H3