2-[4-(3-chloranyl-4-fluoranyl-phenyl)sulfonylpiperazin-1-yl]-N-(2-methylcyclohexyl)propanamide

Systemtic Name: 2-[4-(3-chloranyl-4-fluoranyl-phenyl)sulfonylpiperazin-1-yl]-N-(2-methylcyclohexyl)propanamide Openeye Name: 2-[4-(3-chloro-4-fluoro-phenyl)sulfonylpiperazin-1-yl]-N-(2-methylcyclohexyl)propanamide CAS Name: 2-[4-(3-chloro-4-fluorophenyl)sulfonyl-1-piperazinyl]-N-(2-methylcyclohexyl)propanamide IUPAC Name: 2-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-N-(2-methylcyclohexyl)propanamide Traditional Name: 2-[4-(3-chloro-4-fluoro-phenyl)sulfonylpiperazino]-N-(2-methylcyclohexyl)propionamide Formula: C20H29ClFN3O3S MolecularWeight: 445.978963

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)C(C)N2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)F)Cl

Isomeric SMILES

CC1CCCCC1NC(=O)C(C)N2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C20H29ClFN3O3S/c1-14-5-3-4-6-19(14)23-20(26)15(2)24-9-11-25(12-10-24)29(27,28)16-7-8-18(22)17(21)13-16/h7-8,13-15,19H,3-6,9-12H2,1-2H3,(H,23,26)