[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(3-fluoranyl-4-methyl-phenyl)methanone

Systemtic Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(3-fluoranyl-4-methyl-phenyl)methanone Openeye Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(3-fluoro-4-methyl-phenyl)methanone CAS Name: [4-(1-azepanylsulfonyl)-1-piperazinyl]-(3-fluoro-4-methylphenyl)methanone IUPAC Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(3-fluoro-4-methylphenyl)methanone Traditional Name: [4-(azepan-1-ylsulfonyl)piperazino]-(3-fluoro-4-methyl-phenyl)methanone Formula: C18H26FN3O3S MolecularWeight: 383.480743

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)S(=O)(=O)N3CCCCCC3)F

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)S(=O)(=O)N3CCCCCC3)F

InChI

InChI=1S/C18H26FN3O3S/c1-15-6-7-16(14-17(15)19)18(23)20-10-12-22(13-11-20)26(24,25)21-8-4-2-3-5-9-21/h6-7,14H,2-5,8-13H2,1H3