(4-methylsulfonyl-1,4-diazepan-1-yl)-(2-pyridin-3-ylquinolin-4-yl)methanone

Systemtic Name: (4-methylsulfonyl-1,4-diazepan-1-yl)-(2-pyridin-3-ylquinolin-4-yl)methanone Openeye Name: (4-methylsulfonyl-1,4-diazepan-1-yl)-[2-(3-pyridyl)-4-quinolyl]methanone CAS Name: (4-methylsulfonyl-1,4-diazepan-1-yl)-[2-(3-pyridinyl)-4-quinolinyl]methanone IUPAC Name: (4-methylsulfonyl-1,4-diazepan-1-yl)-(2-pyridin-3-ylquinolin-4-yl)methanone Traditional Name: (4-mesyl-1,4-diazepan-1-yl)-[2-(3-pyridyl)-4-quinolyl]methanone Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCCN(CC1)C(=O)C2=CC(=NC3=CC=CC=C32)C4=CN=CC=C4

Isomeric SMILES

CS(=O)(=O)N1CCCN(CC1)C(=O)C2=CC(=NC3=CC=CC=C32)C4=CN=CC=C4

InChI

InChI=1S/C21H22N4O3S/c1-29(27,28)25-11-5-10-24(12-13-25)21(26)18-14-20(16-6-4-9-22-15-16)23-19-8-3-2-7-17(18)19/h2-4,6-9,14-15H,5,10-13H2,1H3