5-bromanyl-4-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]thiophene-2-carboxylic acid

Systemtic Name: 5-bromanyl-4-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]thiophene-2-carboxylic acid Openeye Name: 5-bromo-4-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]thiophene-2-carboxylic acid CAS Name: 5-bromo-4-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]-2-thiophenecarboxylic acid IUPAC Name: 5-bromo-4-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]thiophene-2-carboxylic acid Traditional Name: 5-bromo-4-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]-2-thenoic acid Formula: C11H15BrN2O4S2 MolecularWeight: 383.2818

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCN(CC1)S(=O)(=O)C2=C(SC(=C2)C(=O)O)Br

Isomeric SMILES

CN1CCCN(CC1)S(=O)(=O)C2=C(SC(=C2)C(=O)O)Br

InChI

InChI=1S/C11H15BrN2O4S2/c1-13-3-2-4-14(6-5-13)20(17,18)9-7-8(11(15)16)19-10(9)12/h7H,2-6H2,1H3,(H,15,16)