N-[(5-bromanyl-2-methoxy-phenyl)methyl]-1-methylsulfonyl-piperidine-3-carboxamide

Systemtic Name: N-[(5-bromanyl-2-methoxy-phenyl)methyl]-1-methylsulfonyl-piperidine-3-carboxamide Openeye Name: N-[(5-bromo-2-methoxy-phenyl)methyl]-1-methylsulfonyl-piperidine-3-carboxamide CAS Name: N-[(5-bromo-2-methoxyphenyl)methyl]-1-methylsulfonyl-3-piperidinecarboxamide IUPAC Name: N-[(5-bromo-2-methoxyphenyl)methyl]-1-methylsulfonylpiperidine-3-carboxamide Traditional Name: N-(5-bromo-2-methoxy-benzyl)-1-mesyl-nipecotamide Formula: C15H21BrN2O4S MolecularWeight: 405.30724

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)CNC(=O)C2CCCN(C2)S(=O)(=O)C

Isomeric SMILES

COC1=C(C=C(C=C1)Br)CNC(=O)C2CCCN(C2)S(=O)(=O)C

InChI

InChI=1S/C15H21BrN2O4S/c1-22-14-6-5-13(16)8-12(14)9-17-15(19)11-4-3-7-18(10-11)23(2,20)21/h5-6,8,11H,3-4,7,9-10H2,1-2H3,(H,17,19)