N-[1-(3-bromanyl-4-methoxy-phenyl)ethyl]-1-(4-fluorophenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[1-(3-bromanyl-4-methoxy-phenyl)ethyl]-1-(4-fluorophenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[1-(3-bromo-4-methoxy-phenyl)ethyl]-1-(4-fluorophenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-[1-(3-bromo-4-methoxyphenyl)ethyl]-1-(4-fluorophenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[1-(3-bromo-4-methoxyphenyl)ethyl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[1-(3-bromo-4-methoxy-phenyl)ethyl]-1-(4-fluorophenyl)sulfonyl-isonipecotamide Formula: C21H24BrFN2O4S MolecularWeight: 499.393663

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=C(C=C1)OC)Br)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CC(C1=CC(=C(C=C1)OC)Br)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H24BrFN2O4S/c1-14(16-3-8-20(29-2)19(22)13-16)24-21(26)15-9-11-25(12-10-15)30(27,28)18-6-4-17(23)5-7-18/h3-8,13-15H,9-12H2,1-2H3,(H,24,26)