1-[2-(4-bromophenyl)sulfonylethyl]-4-nitro-imidazole hydrochloride

Systemtic Name: 1-[2-(4-bromophenyl)sulfonylethyl]-4-nitro-imidazole hydrochloride Openeye Name: 1-[2-(4-bromophenyl)sulfonylethyl]-4-nitro-imidazole hydrochloride CAS Name: 1-[2-(4-bromophenyl)sulfonylethyl]-4-nitroimidazole hydrochloride IUPAC Name: 1-[2-(4-bromophenyl)sulfonylethyl]-4-nitroimidazole hydrochloride Traditional Name: 1-(2-brosylethyl)-4-nitro-imidazole hydrochloride Formula: C11H11BrClN3O4S MolecularWeight: 396.64474

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1S(=O)(=O)CCN2C=C(N=C2)[N+](=O)[O-])Br.Cl

Isomeric SMILES

C1=CC(=CC=C1S(=O)(=O)CCN2C=C(N=C2)[N+](=O)[O-])Br.Cl

InChI

InChI=1S/C11H10BrN3O4S.ClH/c12-9-1-3-10(4-2-9)20(18,19)6-5-14-7-11(13-8-14)15(16)17;/h1-4,7-8H,5-6H2;1H