3-chloranyl-2-[ethyl(methylsulfonyl)amino]-4-methylsulfanyl-benzoic acid

Systemtic Name: 3-chloranyl-2-[ethyl(methylsulfonyl)amino]-4-methylsulfanyl-benzoic acid Openeye Name: 3-chloro-2-[ethyl(methylsulfonyl)amino]-4-methylsulfanyl-benzoic acid CAS Name: 3-chloro-2-[ethyl(methylsulfonyl)amino]-4-(methylthio)benzoic acid IUPAC Name: 3-chloro-2-[ethyl(methylsulfonyl)amino]-4-methylsulfanylbenzoic acid Traditional Name: 3-chloro-2-[ethyl(mesyl)amino]-4-(methylthio)benzoic acid Formula: C11H14ClNO4S2 MolecularWeight: 323.81616

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=C(C=CC(=C1Cl)SC)C(=O)O)S(=O)(=O)C

Isomeric SMILES

CCN(C1=C(C=CC(=C1Cl)SC)C(=O)O)S(=O)(=O)C

InChI

InChI=1S/C11H14ClNO4S2/c1-4-13(19(3,16)17)10-7(11(14)15)5-6-8(18-2)9(10)12/h5-6H,4H2,1-3H3,(H,14,15)