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

Systemtic Name: 4-(azepan-1-ylsulfonyl)-5-bromanyl-thiophene-2-carboxylic acid Openeye Name: 4-(azepan-1-ylsulfonyl)-5-bromo-thiophene-2-carboxylic acid CAS Name: 4-(1-azepanylsulfonyl)-5-bromo-2-thiophenecarboxylic acid IUPAC Name: 4-(azepan-1-ylsulfonyl)-5-bromothiophene-2-carboxylic acid Traditional Name: 4-(azepan-1-ylsulfonyl)-5-bromo-2-thenoic acid Formula: C11H14BrNO4S2 MolecularWeight: 368.26716

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=C(SC(=C2)C(=O)O)Br

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=C(SC(=C2)C(=O)O)Br

InChI

InChI=1S/C11H14BrNO4S2/c12-10-9(7-8(18-10)11(14)15)19(16,17)13-5-3-1-2-4-6-13/h7H,1-6H2,(H,14,15)