2-[2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylpropanoylamino]thiophene-3-carboxamide

Systemtic Name: 2-[2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylpropanoylamino]thiophene-3-carboxamide Openeye Name: 2-[2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridyl)sulfanyl]propanoylamino]thiophene-3-carboxamide CAS Name: 2-[[1-oxo-2-[[5-(1-pyrrolidinylsulfonyl)-2-pyridinyl]thio]propyl]amino]-3-thiophenecarboxamide IUPAC Name: 2-[2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylpropanoylamino]thiophene-3-carboxamide Traditional Name: 2-[2-[(5-pyrrolidinosulfonyl-2-pyridyl)thio]propanoylamino]thiophene-3-carboxamide Formula: C17H20N4O4S3 MolecularWeight: 440.5601

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CS1)C(=O)N)SC2=NC=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CC(C(=O)NC1=C(C=CS1)C(=O)N)SC2=NC=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C17H20N4O4S3/c1-11(16(23)20-17-13(15(18)22)6-9-26-17)27-14-5-4-12(10-19-14)28(24,25)21-7-2-3-8-21/h4-6,9-11H,2-3,7-8H2,1H3,(H2,18,22)(H,20,23)