4-chloranyl-3-[1-(methylamino)-1-oxidanylidene-propan-2-yl]sulfonyl-benzoic acid

Systemtic Name: 4-chloranyl-3-[1-(methylamino)-1-oxidanylidene-propan-2-yl]sulfonyl-benzoic acid Openeye Name: 4-chloro-3-[1-methyl-2-(methylamino)-2-oxo-ethyl]sulfonyl-benzoic acid CAS Name: 4-chloro-3-[1-(methylamino)-1-oxopropan-2-yl]sulfonylbenzoic acid IUPAC Name: 4-chloro-3-[1-(methylamino)-1-oxopropan-2-yl]sulfonylbenzoic acid Traditional Name: 4-chloro-3-[2-keto-1-methyl-2-(methylamino)ethyl]sulfonyl-benzoic acid Formula: C11H12ClNO5S MolecularWeight: 305.73468

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC)S(=O)(=O)C1=C(C=CC(=C1)C(=O)O)Cl

Isomeric SMILES

CC(C(=O)NC)S(=O)(=O)C1=C(C=CC(=C1)C(=O)O)Cl

InChI

InChI=1S/C11H12ClNO5S/c1-6(10(14)13-2)19(17,18)9-5-7(11(15)16)3-4-8(9)12/h3-6H,1-2H3,(H,13,14)(H,15,16)