(E)-4-(3-ethyl-2-methyl-5-nitro-imidazol-4-yl)-4-oxidanyl-3-(phenylsulfonyl)but-3-en-2-one

Systemtic Name: (E)-4-(3-ethyl-2-methyl-5-nitro-imidazol-4-yl)-4-oxidanyl-3-(phenylsulfonyl)but-3-en-2-one Openeye Name: (E)-3-(benzenesulfonyl)-4-(3-ethyl-2-methyl-5-nitro-imidazol-4-yl)-4-hydroxy-but-3-en-2-one CAS Name: (E)-3-(benzenesulfonyl)-4-(3-ethyl-2-methyl-5-nitro-4-imidazolyl)-4-hydroxy-3-buten-2-one IUPAC Name: (E)-3-(benzenesulfonyl)-4-(3-ethyl-2-methyl-5-nitroimidazol-4-yl)-4-hydroxybut-3-en-2-one Traditional Name: (E)-3-besyl-4-(3-ethyl-2-methyl-5-nitro-imidazol-4-yl)-4-hydroxy-but-3-en-2-one Formula: C16H17N3O6S MolecularWeight: 379.38768

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NC(=C1C(=C(C(=O)C)S(=O)(=O)C2=CC=CC=C2)O)[N+](=O)[O-])C

Isomeric SMILES

CCN1C(=NC(=C1/C(=C(/C(=O)C)\S(=O)(=O)C2=CC=CC=C2)/O)[N+](=O)[O-])C

InChI

InChI=1S/C16H17N3O6S/c1-4-18-11(3)17-16(19(22)23)13(18)14(21)15(10(2)20)26(24,25)12-8-6-5-7-9-12/h5-9,21H,4H2,1-3H3/b15-14+