2-[butyl(methylsulfonyloxy)carbamoyl]benzoic acid

Systemtic Name: 2-[butyl(methylsulfonyloxy)carbamoyl]benzoic acid Openeye Name: 2-[butyl(methylsulfonyloxy)carbamoyl]benzoic acid CAS Name: 2-[[butyl(methylsulfonyloxy)amino]-oxomethyl]benzoic acid IUPAC Name: 2-[butyl(methylsulfonyloxy)carbamoyl]benzoic acid Traditional Name: 2-[butyl(methylsulfonyloxy)carbamoyl]benzoic acid Formula: C13H17NO6S MolecularWeight: 315.34218

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C(=O)C1=CC=CC=C1C(=O)O)OS(=O)(=O)C

Isomeric SMILES

CCCCN(C(=O)C1=CC=CC=C1C(=O)O)OS(=O)(=O)C

InChI

InChI=1S/C13H17NO6S/c1-3-4-9-14(20-21(2,18)19)12(15)10-7-5-6-8-11(10)13(16)17/h5-8H,3-4,9H2,1-2H3,(H,16,17)