[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(7-fluoranyl-2-methyl-quinolin-4-yl)methanone

Systemtic Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(7-fluoranyl-2-methyl-quinolin-4-yl)methanone Openeye Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(7-fluoro-2-methyl-4-quinolyl)methanone CAS Name: [4-(1-azepanylsulfonyl)-1-piperazinyl]-(7-fluoro-2-methyl-4-quinolinyl)methanone IUPAC Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(7-fluoro-2-methylquinolin-4-yl)methanone Traditional Name: [4-(azepan-1-ylsulfonyl)piperazino]-(7-fluoro-2-methyl-4-quinolyl)methanone Formula: C21H27FN4O3S MolecularWeight: 434.527483

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC(=C2)F)C(=C1)C(=O)N3CCN(CC3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=NC2=C(C=CC(=C2)F)C(=C1)C(=O)N3CCN(CC3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C21H27FN4O3S/c1-16-14-19(18-7-6-17(22)15-20(18)23-16)21(27)24-10-12-26(13-11-24)30(28,29)25-8-4-2-3-5-9-25/h6-7,14-15H,2-5,8-13H2,1H3