[4-(phenylsulfonyl)piperazin-1-yl]-(2-pyridin-4-ylquinolin-4-yl)methanone

Systemtic Name: [4-(phenylsulfonyl)piperazin-1-yl]-(2-pyridin-4-ylquinolin-4-yl)methanone Openeye Name: [4-(benzenesulfonyl)piperazin-1-yl]-[2-(4-pyridyl)-4-quinolyl]methanone CAS Name: [4-(benzenesulfonyl)-1-piperazinyl]-(2-pyridin-4-yl-4-quinolinyl)methanone IUPAC Name: [4-(benzenesulfonyl)piperazin-1-yl]-(2-pyridin-4-ylquinolin-4-yl)methanone Traditional Name: (4-besylpiperazino)-[2-(4-pyridyl)-4-quinolyl]methanone Formula: C25H22N4O3S MolecularWeight: 458.53218

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=NC=C4)S(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=NC=C4)S(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C25H22N4O3S/c30-25(28-14-16-29(17-15-28)33(31,32)20-6-2-1-3-7-20)22-18-24(19-10-12-26-13-11-19)27-23-9-5-4-8-21(22)23/h1-13,18H,14-17H2