N-[2-[(5-bromanylthiophen-2-yl)methylsulfanyl]ethyl]-4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide

Systemtic Name: N-[2-[(5-bromanylthiophen-2-yl)methylsulfanyl]ethyl]-4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide Openeye Name: N-[2-[(5-bromo-2-thienyl)methylsulfanyl]ethyl]-4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide CAS Name: N-[2-[(5-bromo-2-thiophenyl)methylthio]ethyl]-4-(1-pyrrolidinylsulfonyl)-1H-pyrrole-2-carboxamide IUPAC Name: N-[2-[(5-bromothiophen-2-yl)methylsulfanyl]ethyl]-4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide Traditional Name: N-[2-[(5-bromo-2-thienyl)methylthio]ethyl]-4-pyrrolidinosulfonyl-1H-pyrrole-2-carboxamide Formula: C16H20BrN3O3S3 MolecularWeight: 478.4473

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CNC(=C2)C(=O)NCCSCC3=CC=C(S3)Br

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CNC(=C2)C(=O)NCCSCC3=CC=C(S3)Br

InChI

InChI=1S/C16H20BrN3O3S3/c17-15-4-3-12(25-15)11-24-8-5-18-16(21)14-9-13(10-19-14)26(22,23)20-6-1-2-7-20/h3-4,9-10,19H,1-2,5-8,11H2,(H,18,21)