(3S)-N-[(5-bromanyl-2-methoxy-phenyl)methyl]-1-(4-fluorophenyl)sulfonyl-N-methyl-piperidine-3-carboxamide

Systemtic Name: (3S)-N-[(5-bromanyl-2-methoxy-phenyl)methyl]-1-(4-fluorophenyl)sulfonyl-N-methyl-piperidine-3-carboxamide Openeye Name: (3S)-N-[(5-bromo-2-methoxy-phenyl)methyl]-1-(4-fluorophenyl)sulfonyl-N-methyl-piperidine-3-carboxamide CAS Name: (3S)-N-[(5-bromo-2-methoxyphenyl)methyl]-1-(4-fluorophenyl)sulfonyl-N-methyl-3-piperidinecarboxamide IUPAC Name: (3S)-N-[(5-bromo-2-methoxyphenyl)methyl]-1-(4-fluorophenyl)sulfonyl-N-methylpiperidine-3-carboxamide Traditional Name: (3S)-N-(5-bromo-2-methoxy-benzyl)-1-(4-fluorophenyl)sulfonyl-N-methyl-nipecotamide Formula: C21H24BrFN2O4S MolecularWeight: 499.393663

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=C(C=CC(=C1)Br)OC)C(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CN(CC1=C(C=CC(=C1)Br)OC)C(=O)[C@H]2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H24BrFN2O4S/c1-24(13-16-12-17(22)5-10-20(16)29-2)21(26)15-4-3-11-25(14-15)30(27,28)19-8-6-18(23)7-9-19/h5-10,12,15H,3-4,11,13-14H2,1-2H3/t15-/m0/s1