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

Systemtic Name: N-[(5-bromanyl-2-methoxy-phenyl)methyl]-1-piperidin-1-ylsulfonyl-piperidine-3-carboxamide Openeye Name: N-[(5-bromo-2-methoxy-phenyl)methyl]-1-(1-piperidylsulfonyl)piperidine-3-carboxamide CAS Name: N-[(5-bromo-2-methoxyphenyl)methyl]-1-(1-piperidinylsulfonyl)-3-piperidinecarboxamide IUPAC Name: N-[(5-bromo-2-methoxyphenyl)methyl]-1-piperidin-1-ylsulfonylpiperidine-3-carboxamide Traditional Name: N-(5-bromo-2-methoxy-benzyl)-1-piperidinosulfonyl-nipecotamide Formula: C19H28BrN3O4S MolecularWeight: 474.41232

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)CNC(=O)C2CCCN(C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)Br)CNC(=O)C2CCCN(C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C19H28BrN3O4S/c1-27-18-8-7-17(20)12-16(18)13-21-19(24)15-6-5-11-23(14-15)28(25,26)22-9-3-2-4-10-22/h7-8,12,15H,2-6,9-11,13-14H2,1H3,(H,21,24)