2-[4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperazin-1-yl]-N-(2-methylsulfonylphenyl)propanamide

Systemtic Name: 2-[4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperazin-1-yl]-N-(2-methylsulfonylphenyl)propanamide Openeye Name: 2-[4-[(2-chloro-6-fluoro-phenyl)methyl]piperazin-1-yl]-N-(2-methylsulfonylphenyl)propanamide CAS Name: 2-[4-[(2-chloro-6-fluorophenyl)methyl]-1-piperazinyl]-N-(2-methylsulfonylphenyl)propanamide IUPAC Name: 2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-N-(2-methylsulfonylphenyl)propanamide Traditional Name: 2-[4-(2-chloro-6-fluoro-benzyl)piperazino]-N-(2-mesylphenyl)propionamide Formula: C21H25ClFN3O3S MolecularWeight: 453.957903

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1S(=O)(=O)C)N2CCN(CC2)CC3=C(C=CC=C3Cl)F

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1S(=O)(=O)C)N2CCN(CC2)CC3=C(C=CC=C3Cl)F

InChI

InChI=1S/C21H25ClFN3O3S/c1-15(21(27)24-19-8-3-4-9-20(19)30(2,28)29)26-12-10-25(11-13-26)14-16-17(22)6-5-7-18(16)23/h3-9,15H,10-14H2,1-2H3,(H,24,27)