5-[3-[3,3-bis(chloranyl)prop-2-enyl-methylsulfonyl-amino]propyl]thiophene-2-carboxylic acid

Systemtic Name: 5-[3-[3,3-bis(chloranyl)prop-2-enyl-methylsulfonyl-amino]propyl]thiophene-2-carboxylic acid Openeye Name: 5-[3-[3,3-dichloroallyl(methylsulfonyl)amino]propyl]thiophene-2-carboxylic acid CAS Name: 5-[3-[3,3-dichloroprop-2-enyl(methylsulfonyl)amino]propyl]-2-thiophenecarboxylic acid IUPAC Name: 5-[3-[3,3-dichloroprop-2-enyl(methylsulfonyl)amino]propyl]thiophene-2-carboxylic acid Traditional Name: 5-[3-[3,3-dichloroallyl(mesyl)amino]propyl]-2-thenoic acid Formula: C12H15Cl2NO4S2 MolecularWeight: 372.2878

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CCCC1=CC=C(S1)C(=O)O)CC=C(Cl)Cl

Isomeric SMILES

CS(=O)(=O)N(CCCC1=CC=C(S1)C(=O)O)CC=C(Cl)Cl

InChI

InChI=1S/C12H15Cl2NO4S2/c1-21(18,19)15(8-6-11(13)14)7-2-3-9-4-5-10(20-9)12(16)17/h4-6H,2-3,7-8H2,1H3,(H,16,17)