3-[2-(2-chloroethylsulfonyl)ethylamino]cyclohexa-1,3-diene-1-carboxylic acid

Systemtic Name: 3-[2-(2-chloroethylsulfonyl)ethylamino]cyclohexa-1,3-diene-1-carboxylic acid Openeye Name: 3-[2-(2-chloroethylsulfonyl)ethylamino]cyclohexa-1,3-diene-1-carboxylic acid CAS Name: 3-[2-(2-chloroethylsulfonyl)ethylamino]-1-cyclohexa-1,3-dienecarboxylic acid IUPAC Name: 3-[2-(2-chloroethylsulfonyl)ethylamino]cyclohexa-1,3-diene-1-carboxylic acid Traditional Name: 3-[2-(2-chloroethylsulfonyl)ethylamino]cyclohexa-1,3-diene-1-carboxylic acid Formula: C11H16ClNO4S MolecularWeight: 293.76704

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=CC(=C1)NCCS(=O)(=O)CCCl)C(=O)O

Isomeric SMILES

C1CC(=CC(=C1)NCCS(=O)(=O)CCCl)C(=O)O

InChI

InChI=1S/C11H16ClNO4S/c12-4-6-18(16,17)7-5-13-10-3-1-2-9(8-10)11(14)15/h3,8,13H,1-2,4-7H2,(H,14,15)