N-(4-bromanyl-2-fluoranyl-phenyl)-1-(2-methoxy-5-methyl-phenyl)sulfonyl-piperidine-3-carboxamide

Systemtic Name: N-(4-bromanyl-2-fluoranyl-phenyl)-1-(2-methoxy-5-methyl-phenyl)sulfonyl-piperidine-3-carboxamide Openeye Name: N-(4-bromo-2-fluoro-phenyl)-1-(2-methoxy-5-methyl-phenyl)sulfonyl-piperidine-3-carboxamide CAS Name: N-(4-bromo-2-fluorophenyl)-1-(2-methoxy-5-methylphenyl)sulfonyl-3-piperidinecarboxamide IUPAC Name: N-(4-bromo-2-fluorophenyl)-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-3-carboxamide Traditional Name: N-(4-bromo-2-fluoro-phenyl)-1-(2-methoxy-5-methyl-phenyl)sulfonyl-nipecotamide Formula: C20H22BrFN2O4S MolecularWeight: 485.367083

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCCC(C2)C(=O)NC3=C(C=C(C=C3)Br)F

Isomeric SMILES

CC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCCC(C2)C(=O)NC3=C(C=C(C=C3)Br)F

InChI

InChI=1S/C20H22BrFN2O4S/c1-13-5-8-18(28-2)19(10-13)29(26,27)24-9-3-4-14(12-24)20(25)23-17-7-6-15(21)11-16(17)22/h5-8,10-11,14H,3-4,9,12H2,1-2H3,(H,23,25)