1-(3-chloranyl-4-fluoranyl-phenyl)sulfonyl-N-(6-methylheptan-2-yl)piperidine-4-carboxamide

Systemtic Name: 1-(3-chloranyl-4-fluoranyl-phenyl)sulfonyl-N-(6-methylheptan-2-yl)piperidine-4-carboxamide Openeye Name: 1-(3-chloro-4-fluoro-phenyl)sulfonyl-N-(1,5-dimethylhexyl)piperidine-4-carboxamide CAS Name: 1-(3-chloro-4-fluorophenyl)sulfonyl-N-(6-methylheptan-2-yl)-4-piperidinecarboxamide IUPAC Name: 1-(3-chloro-4-fluorophenyl)sulfonyl-N-(6-methylheptan-2-yl)piperidine-4-carboxamide Traditional Name: 1-(3-chloro-4-fluoro-phenyl)sulfonyl-N-(1,5-dimethylhexyl)isonipecotamide Formula: C20H30ClFN2O3S MolecularWeight: 432.980203

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)NC(=O)C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)F)Cl

Isomeric SMILES

CC(C)CCCC(C)NC(=O)C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)F)Cl

InChI

InChI=1S/C20H30ClFN2O3S/c1-14(2)5-4-6-15(3)23-20(25)16-9-11-24(12-10-16)28(26,27)17-7-8-19(22)18(21)13-17/h7-8,13-16H,4-6,9-12H2,1-3H3,(H,23,25)