[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-(2-methylquinolin-4-yl)methanone

Systemtic Name: [4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-(2-methylquinolin-4-yl)methanone Openeye Name: [4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-(2-methyl-4-quinolyl)methanone CAS Name: [4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-(2-methyl-4-quinolinyl)methanone IUPAC Name: [4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-(2-methylquinolin-4-yl)methanone Traditional Name: [4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-(2-methyl-4-quinolyl)methanone Formula: C22H22FN3O3S MolecularWeight: 427.491783

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=C1)C(=O)N3CCCN(CC3)S(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1)C(=O)N3CCCN(CC3)S(=O)(=O)C4=CC=C(C=C4)F

InChI

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