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

Systemtic Name: 4-chloranyl-3-[1-(cyclopropylamino)-1-oxidanylidene-propan-2-yl]sulfonyl-benzoic acid Openeye Name: 4-chloro-3-[2-(cyclopropylamino)-1-methyl-2-oxo-ethyl]sulfonyl-benzoic acid CAS Name: 4-chloro-3-[1-(cyclopropylamino)-1-oxopropan-2-yl]sulfonylbenzoic acid IUPAC Name: 4-chloro-3-[1-(cyclopropylamino)-1-oxopropan-2-yl]sulfonylbenzoic acid Traditional Name: 4-chloro-3-[2-(cyclopropylamino)-2-keto-1-methyl-ethyl]sulfonyl-benzoic acid Formula: C13H14ClNO5S MolecularWeight: 331.77196

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)O)Cl

Isomeric SMILES

CC(C(=O)NC1CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)O)Cl

InChI

InChI=1S/C13H14ClNO5S/c1-7(12(16)15-9-3-4-9)21(19,20)11-6-8(13(17)18)2-5-10(11)14/h2,5-7,9H,3-4H2,1H3,(H,15,16)(H,17,18)