2-(butan-2-ylcarbamoyl)-3-ethylsulfonyloxy-benzoic acid

Systemtic Name: 2-(butan-2-ylcarbamoyl)-3-ethylsulfonyloxy-benzoic acid Openeye Name: 3-ethylsulfonyloxy-2-(sec-butylcarbamoyl)benzoic acid CAS Name: 2-[(butan-2-ylamino)-oxomethyl]-3-ethylsulfonyloxybenzoic acid IUPAC Name: 2-(butan-2-ylcarbamoyl)-3-ethylsulfonyloxybenzoic acid Traditional Name: 3-esyloxy-2-(sec-butylcarbamoyl)benzoic acid Formula: C14H19NO6S MolecularWeight: 329.36876

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1=C(C=CC=C1OS(=O)(=O)CC)C(=O)O

Isomeric SMILES

CCC(C)NC(=O)C1=C(C=CC=C1OS(=O)(=O)CC)C(=O)O

InChI

InChI=1S/C14H19NO6S/c1-4-9(3)15-13(16)12-10(14(17)18)7-6-8-11(12)21-22(19,20)5-2/h6-9H,4-5H2,1-3H3,(H,15,16)(H,17,18)