3,5-bis(bromanyl)-4-oxidanyl-benzenecarbonitrile; methyl N-(4-aminophenyl)sulfonylcarbamate

Systemtic Name: 3,5-bis(bromanyl)-4-oxidanyl-benzenecarbonitrile; methyl N-(4-aminophenyl)sulfonylcarbamate Openeye Name: 3,5-dibromo-4-hydroxy-benzonitrile; methyl N-(4-aminophenyl)sulfonylcarbamate CAS Name: N-(4-aminophenyl)sulfonylcarbamic acid methyl ester; 3,5-dibromo-4-hydroxybenzonitrile IUPAC Name: 3,5-dibromo-4-hydroxybenzonitrile; methyl N-(4-aminophenyl)sulfonylcarbamate Traditional Name: 3,5-dibromo-4-hydroxy-benzonitrile; N-sulfanilylcarbamic acid methyl ester Formula: C15H13Br2N3O5S MolecularWeight: 507.15382

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NS(=O)(=O)C1=CC=C(C=C1)N.C1=C(C=C(C(=C1Br)O)Br)C#N

Isomeric SMILES

COC(=O)NS(=O)(=O)C1=CC=C(C=C1)N.C1=C(C=C(C(=C1Br)O)Br)C#N

InChI

InChI=1S/C8H10N2O4S.C7H3Br2NO/c1-14-8(11)10-15(12,13)7-4-2-6(9)3-5-7;8-5-1-4(3-10)2-6(9)7(5)11/h2-5H,9H2,1H3,(H,10,11);1-2,11H