4-chloranyl-3-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]sulfonyl-benzoic acid

Systemtic Name: 4-chloranyl-3-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]sulfonyl-benzoic acid Openeye Name: 4-chloro-3-[2-(isopropylamino)-2-oxo-ethyl]sulfonyl-benzoic acid CAS Name: 4-chloro-3-[2-oxo-2-(propan-2-ylamino)ethyl]sulfonylbenzoic acid IUPAC Name: 4-chloro-3-[2-oxo-2-(propan-2-ylamino)ethyl]sulfonylbenzoic acid Traditional Name: 4-chloro-3-[2-(isopropylamino)-2-keto-ethyl]sulfonyl-benzoic acid Formula: C12H14ClNO5S MolecularWeight: 319.76126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14ClNO5S/c1-7(2)14-11(15)6-20(18,19)10-5-8(12(16)17)3-4-9(10)13/h3-5,7H,6H2,1-2H3,(H,14,15)(H,16,17)