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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=C(N=C4C=CC(=CC4=C3)C)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=C(N=C4C=CC(=CC4=C3)C)C)C

InChI

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