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

Systemtic Name: 4-chloranyl-3-[2-(cyclopropylamino)-2-oxidanylidene-ethyl]sulfonyl-benzoic acid Openeye Name: 4-chloro-3-[2-(cyclopropylamino)-2-oxo-ethyl]sulfonyl-benzoic acid CAS Name: 4-chloro-3-[2-(cyclopropylamino)-2-oxoethyl]sulfonylbenzoic acid IUPAC Name: 4-chloro-3-[2-(cyclopropylamino)-2-oxoethyl]sulfonylbenzoic acid Traditional Name: 4-chloro-3-[2-(cyclopropylamino)-2-keto-ethyl]sulfonyl-benzoic acid Formula: C12H12ClNO5S MolecularWeight: 317.74538

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)CS(=O)(=O)C2=C(C=CC(=C2)C(=O)O)Cl

Isomeric SMILES

C1CC1NC(=O)CS(=O)(=O)C2=C(C=CC(=C2)C(=O)O)Cl

InChI

InChI=1S/C12H12ClNO5S/c13-9-4-1-7(12(16)17)5-10(9)20(18,19)6-11(15)14-8-2-3-8/h1,4-5,8H,2-3,6H2,(H,14,15)(H,16,17)