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

Systemtic Name: 4-chloranyl-3-[1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl]sulfonyl-benzoic acid Openeye Name: 4-chloro-3-[2-(isopropylamino)-1-methyl-2-oxo-ethyl]sulfonyl-benzoic acid CAS Name: 4-chloro-3-[1-oxo-1-(propan-2-ylamino)propan-2-yl]sulfonylbenzoic acid IUPAC Name: 4-chloro-3-[1-oxo-1-(propan-2-ylamino)propan-2-yl]sulfonylbenzoic acid Traditional Name: 4-chloro-3-[2-(isopropylamino)-2-keto-1-methyl-ethyl]sulfonyl-benzoic acid Formula: C13H16ClNO5S MolecularWeight: 333.78784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16ClNO5S/c1-7(2)15-12(16)8(3)21(19,20)11-6-9(13(17)18)4-5-10(11)14/h4-8H,1-3H3,(H,15,16)(H,17,18)