3-[2-[methyl(propan-2-yl)amino]-2-oxidanylidene-ethyl]sulfonylbenzoic acid

Systemtic Name: 3-[2-[methyl(propan-2-yl)amino]-2-oxidanylidene-ethyl]sulfonylbenzoic acid Openeye Name: 3-[2-[isopropyl(methyl)amino]-2-oxo-ethyl]sulfonylbenzoic acid CAS Name: 3-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]sulfonylbenzoic acid IUPAC Name: 3-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]sulfonylbenzoic acid Traditional Name: 3-[2-[isopropyl(methyl)amino]-2-keto-ethyl]sulfonylbenzoic acid Formula: C13H17NO5S MolecularWeight: 299.34278

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C)C(=O)CS(=O)(=O)C1=CC=CC(=C1)C(=O)O

Isomeric SMILES

CC(C)N(C)C(=O)CS(=O)(=O)C1=CC=CC(=C1)C(=O)O

InChI

InChI=1S/C13H17NO5S/c1-9(2)14(3)12(15)8-20(18,19)11-6-4-5-10(7-11)13(16)17/h4-7,9H,8H2,1-3H3,(H,16,17)