4-[[3-(2-chloroethylsulfonyl)phenyl]carbonylamino]cyclohexa-1,3-diene-1-sulfonic acid

Systemtic Name: 4-[[3-(2-chloroethylsulfonyl)phenyl]carbonylamino]cyclohexa-1,3-diene-1-sulfonic acid Openeye Name: 4-[[3-(2-chloroethylsulfonyl)benzoyl]amino]cyclohexa-1,3-diene-1-sulfonic acid CAS Name: 4-[[[3-(2-chloroethylsulfonyl)phenyl]-oxomethyl]amino]-1-cyclohexa-1,3-dienesulfonic acid IUPAC Name: 4-[[3-(2-chloroethylsulfonyl)benzoyl]amino]cyclohexa-1,3-diene-1-sulfonic acid Traditional Name: 4-[[3-(2-chloroethylsulfonyl)benzoyl]amino]cyclohexa-1,3-diene-1-sulfonic acid Formula: C15H16ClNO6S2 MolecularWeight: 405.87364

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=CC=C1NC(=O)C2=CC(=CC=C2)S(=O)(=O)CCCl)S(=O)(=O)O

Isomeric SMILES

C1CC(=CC=C1NC(=O)C2=CC(=CC=C2)S(=O)(=O)CCCl)S(=O)(=O)O

InChI

InChI=1S/C15H16ClNO6S2/c16-8-9-24(19,20)14-3-1-2-11(10-14)15(18)17-12-4-6-13(7-5-12)25(21,22)23/h1-4,6,10H,5,7-9H2,(H,17,18)(H,21,22,23)