N-[2-(2-bromanyl-4,5-dimethoxy-phenyl)ethyl]-1-methylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[2-(2-bromanyl-4,5-dimethoxy-phenyl)ethyl]-1-methylsulfonyl-piperidine-4-carboxamide Openeye Name: N-[2-(2-bromo-4,5-dimethoxy-phenyl)ethyl]-1-methylsulfonyl-piperidine-4-carboxamide CAS Name: N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-1-methylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide Traditional Name: N-[2-(2-bromo-4,5-dimethoxy-phenyl)ethyl]-1-mesyl-isonipecotamide Formula: C17H25BrN2O5S MolecularWeight: 449.3598

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CCNC(=O)C2CCN(CC2)S(=O)(=O)C)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CCNC(=O)C2CCN(CC2)S(=O)(=O)C)Br)OC

InChI

InChI=1S/C17H25BrN2O5S/c1-24-15-10-13(14(18)11-16(15)25-2)4-7-19-17(21)12-5-8-20(9-6-12)26(3,22)23/h10-12H,4-9H2,1-3H3,(H,19,21)