(6-bromanyl-2-pyridin-2-yl-quinolin-4-yl)-[4-(phenylsulfonyl)piperazin-1-yl]methanone

Systemtic Name: (6-bromanyl-2-pyridin-2-yl-quinolin-4-yl)-[4-(phenylsulfonyl)piperazin-1-yl]methanone Openeye Name: [4-(benzenesulfonyl)piperazin-1-yl]-[6-bromo-2-(2-pyridyl)-4-quinolyl]methanone CAS Name: [4-(benzenesulfonyl)-1-piperazinyl]-[6-bromo-2-(2-pyridinyl)-4-quinolinyl]methanone IUPAC Name: [4-(benzenesulfonyl)piperazin-1-yl]-(6-bromo-2-pyridin-2-ylquinolin-4-yl)methanone Traditional Name: (4-besylpiperazino)-[6-bromo-2-(2-pyridyl)-4-quinolyl]methanone Formula: C25H21BrN4O3S MolecularWeight: 537.42824

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC(=NC3=C2C=C(C=C3)Br)C4=CC=CC=N4)S(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC(=NC3=C2C=C(C=C3)Br)C4=CC=CC=N4)S(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C25H21BrN4O3S/c26-18-9-10-22-20(16-18)21(17-24(28-22)23-8-4-5-11-27-23)25(31)29-12-14-30(15-13-29)34(32,33)19-6-2-1-3-7-19/h1-11,16-17H,12-15H2