(4-oxidanylidene-4-thiophen-2-yl-butyl) 3-pyrrolidin-1-ylsulfonylbenzoate

Systemtic Name: (4-oxidanylidene-4-thiophen-2-yl-butyl) 3-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: [4-oxo-4-(2-thienyl)butyl] 3-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 3-(1-pyrrolidinylsulfonyl)benzoic acid (4-oxo-4-thiophen-2-ylbutyl) ester IUPAC Name: (4-oxo-4-thiophen-2-ylbutyl) 3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 3-pyrrolidinosulfonylbenzoic acid [4-keto-4-(2-thienyl)butyl] ester Formula: C19H21NO5S2 MolecularWeight: 407.50374

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCCCC(=O)C3=CC=CS3

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCCCC(=O)C3=CC=CS3

InChI

InChI=1S/C19H21NO5S2/c21-17(18-9-5-13-26-18)8-4-12-25-19(22)15-6-3-7-16(14-15)27(23,24)20-10-1-2-11-20/h3,5-7,9,13-14H,1-2,4,8,10-12H2