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

Systemtic Name: N-[(5-bromanyl-2-methoxy-phenyl)methyl]-1-piperidin-1-ylsulfonyl-piperidine-4-carboxamide Openeye Name: N-[(5-bromo-2-methoxy-phenyl)methyl]-1-(1-piperidylsulfonyl)piperidine-4-carboxamide CAS Name: N-[(5-bromo-2-methoxyphenyl)methyl]-1-(1-piperidinylsulfonyl)-4-piperidinecarboxamide IUPAC Name: N-[(5-bromo-2-methoxyphenyl)methyl]-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide Traditional Name: N-(5-bromo-2-methoxy-benzyl)-1-piperidinosulfonyl-isonipecotamide Formula: C19H28BrN3O4S MolecularWeight: 474.41232

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)CNC(=O)C2CCN(CC2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)Br)CNC(=O)C2CCN(CC2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C19H28BrN3O4S/c1-27-18-6-5-17(20)13-16(18)14-21-19(24)15-7-11-23(12-8-15)28(25,26)22-9-3-2-4-10-22/h5-6,13,15H,2-4,7-12,14H2,1H3,(H,21,24)