[4-(phenylmethyl)sulfonylpiperazin-1-yl]-(2-pyridin-3-ylquinolin-4-yl)methanone

Systemtic Name: [4-(phenylmethyl)sulfonylpiperazin-1-yl]-(2-pyridin-3-ylquinolin-4-yl)methanone Openeye Name: (4-benzylsulfonylpiperazin-1-yl)-[2-(3-pyridyl)-4-quinolyl]methanone CAS Name: [4-(phenylmethyl)sulfonyl-1-piperazinyl]-[2-(3-pyridinyl)-4-quinolinyl]methanone IUPAC Name: (4-benzylsulfonylpiperazin-1-yl)-(2-pyridin-3-ylquinolin-4-yl)methanone Traditional Name: (4-benzylsulfonylpiperazino)-[2-(3-pyridyl)-4-quinolyl]methanone Formula: C26H24N4O3S MolecularWeight: 472.55876

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC(=NC3=CC=CC=C32)C4=CN=CC=C4)S(=O)(=O)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC(=NC3=CC=CC=C32)C4=CN=CC=C4)S(=O)(=O)CC5=CC=CC=C5

InChI

InChI=1S/C26H24N4O3S/c31-26(29-13-15-30(16-14-29)34(32,33)19-20-7-2-1-3-8-20)23-17-25(21-9-6-12-27-18-21)28-24-11-5-4-10-22(23)24/h1-12,17-18H,13-16,19H2