methyl 5-bromanyl-4-(1,4-diazepan-1-ylsulfonyl)thiophene-2-carboxylate

Systemtic Name: methyl 5-bromanyl-4-(1,4-diazepan-1-ylsulfonyl)thiophene-2-carboxylate Openeye Name: methyl 5-bromo-4-(1,4-diazepan-1-ylsulfonyl)thiophene-2-carboxylate CAS Name: 5-bromo-4-(1,4-diazepan-1-ylsulfonyl)-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-bromo-4-(1,4-diazepan-1-ylsulfonyl)thiophene-2-carboxylate Traditional Name: 5-bromo-4-(1,4-diazepan-1-ylsulfonyl)thiophene-2-carboxylic acid methyl ester Formula: C11H15BrN2O4S2 MolecularWeight: 383.2818

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(S1)Br)S(=O)(=O)N2CCCNCC2

Isomeric SMILES

COC(=O)C1=CC(=C(S1)Br)S(=O)(=O)N2CCCNCC2

InChI

InChI=1S/C11H15BrN2O4S2/c1-18-11(15)8-7-9(10(12)19-8)20(16,17)14-5-2-3-13-4-6-14/h7,13H,2-6H2,1H3