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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(5-bromanylthiophen-2-yl)sulfonyl-pyrrolidine-2-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-1-[(5-bromo-2-thienyl)sulfonyl]pyrrolidine-2-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-1-[(5-bromo-2-thiophenyl)sulfonyl]-2-pyrrolidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(5-bromothiophen-2-yl)sulfonylpyrrolidine-2-carboxamide Traditional Name: 1-[(5-bromo-2-thienyl)sulfonyl]-N-piperonyl-pyrrolidine-2-carboxamide Formula: C17H17BrN2O5S2 MolecularWeight: 473.36128

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17BrN2O5S2/c18-15-5-6-16(26-15)27(22,23)20-7-1-2-12(20)17(21)19-9-11-3-4-13-14(8-11)25-10-24-13/h3-6,8,12H,1-2,7,9-10H2,(H,19,21)