N-[(5-bromanyl-2-methoxy-phenyl)methyl]-1-methylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[(5-bromanyl-2-methoxy-phenyl)methyl]-1-methylsulfonyl-piperidine-4-carboxamide Openeye Name: N-[(5-bromo-2-methoxy-phenyl)methyl]-1-methylsulfonyl-piperidine-4-carboxamide CAS Name: N-[(5-bromo-2-methoxyphenyl)methyl]-1-methylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-[(5-bromo-2-methoxyphenyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide Traditional Name: N-(5-bromo-2-methoxy-benzyl)-1-mesyl-isonipecotamide Formula: C15H21BrN2O4S MolecularWeight: 405.30724

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)CNC(=O)C2CCN(CC2)S(=O)(=O)C

Isomeric SMILES

COC1=C(C=C(C=C1)Br)CNC(=O)C2CCN(CC2)S(=O)(=O)C

InChI

InChI=1S/C15H21BrN2O4S/c1-22-14-4-3-13(16)9-12(14)10-17-15(19)11-5-7-18(8-6-11)23(2,20)21/h3-4,9,11H,5-8,10H2,1-2H3,(H,17,19)