N-(4-bromanyl-2-fluoranyl-phenyl)-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(4-bromanyl-2-fluoranyl-phenyl)-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(4-bromo-2-fluoro-phenyl)-1-(p-tolylsulfonyl)piperidine-4-carboxamide CAS Name: N-(4-bromo-2-fluorophenyl)-1-(4-methylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(4-bromo-2-fluorophenyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(4-bromo-2-fluoro-phenyl)-1-tosyl-isonipecotamide Formula: C19H20BrFN2O3S MolecularWeight: 455.341103

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20BrFN2O3S/c1-13-2-5-16(6-3-13)27(25,26)23-10-8-14(9-11-23)19(24)22-18-7-4-15(20)12-17(18)21/h2-7,12,14H,8-11H2,1H3,(H,22,24)