[2-(5-bromanylthiophen-2-yl)-2-oxidanylidene-ethyl] 4-pyrrolidin-1-ylsulfonylbenzoate

Systemtic Name: [2-(5-bromanylthiophen-2-yl)-2-oxidanylidene-ethyl] 4-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: [2-(5-bromo-2-thienyl)-2-oxo-ethyl] 4-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 4-(1-pyrrolidinylsulfonyl)benzoic acid [2-(5-bromo-2-thiophenyl)-2-oxoethyl] ester IUPAC Name: [2-(5-bromothiophen-2-yl)-2-oxoethyl] 4-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-pyrrolidinosulfonylbenzoic acid [2-(5-bromo-2-thienyl)-2-keto-ethyl] ester Formula: C17H16BrNO5S2 MolecularWeight: 458.34664

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC(=O)C3=CC=C(S3)Br

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC(=O)C3=CC=C(S3)Br

InChI

InChI=1S/C17H16BrNO5S2/c18-16-8-7-15(25-16)14(20)11-24-17(21)12-3-5-13(6-4-12)26(22,23)19-9-1-2-10-19/h3-8H,1-2,9-11H2