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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCC(CC2)C(=O)NC3=C(C=C(C=C3)Br)F

Isomeric SMILES

CC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCC(CC2)C(=O)NC3=C(C=C(C=C3)Br)F

InChI

InChI=1S/C20H22BrFN2O4S/c1-13-3-6-18(28-2)19(11-13)29(26,27)24-9-7-14(8-10-24)20(25)23-17-5-4-15(21)12-16(17)22/h3-6,11-12,14H,7-10H2,1-2H3,(H,23,25)