4-cyclopentyl-4-oxidanylidene-2-[(phenylmethyl)sulfonylmethyl]butanoic acid

Systemtic Name: 4-cyclopentyl-4-oxidanylidene-2-[(phenylmethyl)sulfonylmethyl]butanoic acid Openeye Name: 2-(benzylsulfonylmethyl)-4-cyclopentyl-4-oxo-butanoic acid CAS Name: 4-cyclopentyl-4-oxo-2-[(phenylmethyl)sulfonylmethyl]butanoic acid IUPAC Name: 2-(benzylsulfonylmethyl)-4-cyclopentyl-4-oxobutanoic acid Traditional Name: 2-(benzylsulfonylmethyl)-4-cyclopentyl-4-keto-butyric acid Formula: C17H22O5S MolecularWeight: 338.41858

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C(=O)CC(CS(=O)(=O)CC2=CC=CC=C2)C(=O)O

Isomeric SMILES

C1CCC(C1)C(=O)CC(CS(=O)(=O)CC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C17H22O5S/c18-16(14-8-4-5-9-14)10-15(17(19)20)12-23(21,22)11-13-6-2-1-3-7-13/h1-3,6-7,14-15H,4-5,8-12H2,(H,19,20)