(3-fluorophenyl)-[4-(3-methylquinolin-8-yl)sulfonyl-1,4-diazepan-1-yl]methanone

Systemtic Name: (3-fluorophenyl)-[4-(3-methylquinolin-8-yl)sulfonyl-1,4-diazepan-1-yl]methanone Openeye Name: (3-fluorophenyl)-[4-[(3-methyl-8-quinolyl)sulfonyl]-1,4-diazepan-1-yl]methanone CAS Name: (3-fluorophenyl)-[4-[(3-methyl-8-quinolinyl)sulfonyl]-1,4-diazepan-1-yl]methanone IUPAC Name: (3-fluorophenyl)-[4-(3-methylquinolin-8-yl)sulfonyl-1,4-diazepan-1-yl]methanone Traditional Name: (3-fluorophenyl)-[4-[(3-methyl-8-quinolyl)sulfonyl]-1,4-diazepan-1-yl]methanone Formula: C22H22FN3O3S MolecularWeight: 427.491783

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C2C(=C1)C=CC=C2S(=O)(=O)N3CCCN(CC3)C(=O)C4=CC(=CC=C4)F

Isomeric SMILES

CC1=CN=C2C(=C1)C=CC=C2S(=O)(=O)N3CCCN(CC3)C(=O)C4=CC(=CC=C4)F

InChI

InChI=1S/C22H22FN3O3S/c1-16-13-17-5-3-8-20(21(17)24-15-16)30(28,29)26-10-4-9-25(11-12-26)22(27)18-6-2-7-19(23)14-18/h2-3,5-8,13-15H,4,9-12H2,1H3