2-(pyrrolidin-1-ylsulfonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid

Systemtic Name: 2-(pyrrolidin-1-ylsulfonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid Openeye Name: 2-(pyrrolidin-1-ylsulfonylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid CAS Name: 2-(1-pyrrolidinylsulfonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid IUPAC Name: 2-(pyrrolidin-1-ylsulfonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid Traditional Name: 2-(pyrrolidinosulfonylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid Formula: C13H18N2O4S2 MolecularWeight: 330.42302

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NS(=O)(=O)N3CCCC3)C(=O)O

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NS(=O)(=O)N3CCCC3)C(=O)O

InChI

InChI=1S/C13H18N2O4S2/c16-13(17)11-9-5-1-2-6-10(9)20-12(11)14-21(18,19)15-7-3-4-8-15/h14H,1-8H2,(H,16,17)