1-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2-(4-nitroimidazol-1-yl)ethanone

Systemtic Name: 1-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2-(4-nitroimidazol-1-yl)ethanone Openeye Name: 1-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2-(4-nitroimidazol-1-yl)ethanone CAS Name: 1-[4-(3,4-dimethoxyphenyl)sulfonyl-1-piperazinyl]-2-(4-nitro-1-imidazolyl)ethanone IUPAC Name: 1-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2-(4-nitroimidazol-1-yl)ethanone Traditional Name: 1-[4-(3,4-dimethoxyphenyl)sulfonylpiperazino]-2-(4-nitroimidazol-1-yl)ethanone Formula: C17H21N5O7S MolecularWeight: 439.44294

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CN3C=C(N=C3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CN3C=C(N=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C17H21N5O7S/c1-28-14-4-3-13(9-15(14)29-2)30(26,27)21-7-5-20(6-8-21)17(23)11-19-10-16(18-12-19)22(24)25/h3-4,9-10,12H,5-8,11H2,1-2H3