4-chloranyl-2-(3-methylsulfonylpropanoylamino)benzoic acid

Systemtic Name: 4-chloranyl-2-(3-methylsulfonylpropanoylamino)benzoic acid Openeye Name: 4-chloro-2-(3-methylsulfonylpropanoylamino)benzoic acid CAS Name: 4-chloro-2-[(3-methylsulfonyl-1-oxopropyl)amino]benzoic acid IUPAC Name: 4-chloro-2-(3-methylsulfonylpropanoylamino)benzoic acid Traditional Name: 4-chloro-2-(3-mesylpropanoylamino)benzoic acid Formula: C11H12ClNO5S MolecularWeight: 305.73468

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCC(=O)NC1=C(C=CC(=C1)Cl)C(=O)O

Isomeric SMILES

CS(=O)(=O)CCC(=O)NC1=C(C=CC(=C1)Cl)C(=O)O

InChI

InChI=1S/C11H12ClNO5S/c1-19(17,18)5-4-10(14)13-9-6-7(12)2-3-8(9)11(15)16/h2-3,6H,4-5H2,1H3,(H,13,14)(H,15,16)