[4-[(2-chloranyl-4-fluoranyl-phenyl)methyl]piperazin-1-yl]-(2-propan-2-ylsulfonylphenyl)methanone

Systemtic Name: [4-[(2-chloranyl-4-fluoranyl-phenyl)methyl]piperazin-1-yl]-(2-propan-2-ylsulfonylphenyl)methanone Openeye Name: [4-[(2-chloro-4-fluoro-phenyl)methyl]piperazin-1-yl]-(2-isopropylsulfonylphenyl)methanone CAS Name: [4-[(2-chloro-4-fluorophenyl)methyl]-1-piperazinyl]-(2-propan-2-ylsulfonylphenyl)methanone IUPAC Name: [4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-(2-propan-2-ylsulfonylphenyl)methanone Traditional Name: [4-(2-chloro-4-fluoro-benzyl)piperazino]-(2-isopropylsulfonylphenyl)methanone Formula: C21H24ClFN2O3S MolecularWeight: 438.943263

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=CC=CC=C1C(=O)N2CCN(CC2)CC3=C(C=C(C=C3)F)Cl

Isomeric SMILES

CC(C)S(=O)(=O)C1=CC=CC=C1C(=O)N2CCN(CC2)CC3=C(C=C(C=C3)F)Cl

InChI

InChI=1S/C21H24ClFN2O3S/c1-15(2)29(27,28)20-6-4-3-5-18(20)21(26)25-11-9-24(10-12-25)14-16-7-8-17(23)13-19(16)22/h3-8,13,15H,9-12,14H2,1-2H3