N-(1,3-benzodioxol-5-ylmethyl)-1-(5-bromanylthiophen-2-yl)sulfonyl-piperidine-3-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(5-bromanylthiophen-2-yl)sulfonyl-piperidine-3-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-1-[(5-bromo-2-thienyl)sulfonyl]piperidine-3-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-1-[(5-bromo-2-thiophenyl)sulfonyl]-3-piperidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(5-bromothiophen-2-yl)sulfonylpiperidine-3-carboxamide Traditional Name: 1-[(5-bromo-2-thienyl)sulfonyl]-N-piperonyl-nipecotamide Formula: C18H19BrN2O5S2 MolecularWeight: 487.38786

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=C(S2)Br)C(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CC(CN(C1)S(=O)(=O)C2=CC=C(S2)Br)C(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H19BrN2O5S2/c19-16-5-6-17(27-16)28(23,24)21-7-1-2-13(10-21)18(22)20-9-12-3-4-14-15(8-12)26-11-25-14/h3-6,8,13H,1-2,7,9-11H2,(H,20,22)