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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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