4-(azocan-1-ylsulfonyl)-5-bromanyl-thiophene-2-carboxylic acid

Systemtic Name: 4-(azocan-1-ylsulfonyl)-5-bromanyl-thiophene-2-carboxylic acid Openeye Name: 4-(azocan-1-ylsulfonyl)-5-bromo-thiophene-2-carboxylic acid CAS Name: 4-(1-azocanylsulfonyl)-5-bromo-2-thiophenecarboxylic acid IUPAC Name: 4-(azocan-1-ylsulfonyl)-5-bromothiophene-2-carboxylic acid Traditional Name: 4-(azocan-1-ylsulfonyl)-5-bromo-2-thenoic acid Formula: C12H16BrNO4S2 MolecularWeight: 382.29374

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CCC1)S(=O)(=O)C2=C(SC(=C2)C(=O)O)Br

Isomeric SMILES

C1CCCN(CCC1)S(=O)(=O)C2=C(SC(=C2)C(=O)O)Br

InChI

InChI=1S/C12H16BrNO4S2/c13-11-10(8-9(19-11)12(15)16)20(17,18)14-6-4-2-1-3-5-7-14/h8H,1-7H2,(H,15,16)