[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-(2-pyridin-3-ylquinolin-4-yl)methanone

Systemtic Name: [4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-(2-pyridin-3-ylquinolin-4-yl)methanone Openeye Name: [4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-[2-(3-pyridyl)-4-quinolyl]methanone CAS Name: [4-(2,5-dimethylphenyl)sulfonyl-1-piperazinyl]-[2-(3-pyridinyl)-4-quinolinyl]methanone IUPAC Name: [4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-(2-pyridin-3-ylquinolin-4-yl)methanone Traditional Name: [4-(2,5-dimethylphenyl)sulfonylpiperazino]-[2-(3-pyridyl)-4-quinolyl]methanone Formula: C27H26N4O3S MolecularWeight: 486.58534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC(=NC4=CC=CC=C43)C5=CN=CC=C5

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC(=NC4=CC=CC=C43)C5=CN=CC=C5

InChI

InChI=1S/C27H26N4O3S/c1-19-9-10-20(2)26(16-19)35(33,34)31-14-12-30(13-15-31)27(32)23-17-25(21-6-5-11-28-18-21)29-24-8-4-3-7-22(23)24/h3-11,16-18H,12-15H2,1-2H3