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

Systemtic Name: (4-methylsulfonyl-1,4-diazepan-1-yl)-(2-pyridin-4-ylquinolin-4-yl)methanone Openeye Name: (4-methylsulfonyl-1,4-diazepan-1-yl)-[2-(4-pyridyl)-4-quinolyl]methanone CAS Name: (4-methylsulfonyl-1,4-diazepan-1-yl)-(2-pyridin-4-yl-4-quinolinyl)methanone IUPAC Name: (4-methylsulfonyl-1,4-diazepan-1-yl)-(2-pyridin-4-ylquinolin-4-yl)methanone Traditional Name: (4-mesyl-1,4-diazepan-1-yl)-[2-(4-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=CC=NC=C4

Isomeric SMILES

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

InChI

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