5-[2-(2-chloroethylsulfonyl)ethylcarbamoyl]-2-methyl-benzenesulfonic acid

Systemtic Name: 5-[2-(2-chloroethylsulfonyl)ethylcarbamoyl]-2-methyl-benzenesulfonic acid Openeye Name: 5-[2-(2-chloroethylsulfonyl)ethylcarbamoyl]-2-methyl-benzenesulfonic acid CAS Name: 5-[[2-(2-chloroethylsulfonyl)ethylamino]-oxomethyl]-2-methylbenzenesulfonic acid IUPAC Name: 5-[2-(2-chloroethylsulfonyl)ethylcarbamoyl]-2-methylbenzenesulfonic acid Traditional Name: 5-[2-(2-chloroethylsulfonyl)ethylcarbamoyl]-2-methyl-besylic acid Formula: C12H16ClNO6S2 MolecularWeight: 369.84154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NCCS(=O)(=O)CCCl)S(=O)(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NCCS(=O)(=O)CCCl)S(=O)(=O)O

InChI

InChI=1S/C12H16ClNO6S2/c1-9-2-3-10(8-11(9)22(18,19)20)12(15)14-5-7-21(16,17)6-4-13/h2-3,8H,4-7H2,1H3,(H,14,15)(H,18,19,20)