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

Systemtic Name: 1-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-(4-nitroimidazol-1-yl)ethanone Openeye Name: 1-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-(4-nitroimidazol-1-yl)ethanone CAS Name: 1-[4-(3,4-dimethylphenyl)sulfonyl-1-piperazinyl]-2-(4-nitro-1-imidazolyl)ethanone IUPAC Name: 1-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-(4-nitroimidazol-1-yl)ethanone Traditional Name: 1-[4-(3,4-dimethylphenyl)sulfonylpiperazino]-2-(4-nitroimidazol-1-yl)ethanone Formula: C17H21N5O5S MolecularWeight: 407.44414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CN3C=C(N=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CN3C=C(N=C3)[N+](=O)[O-])C

InChI

InChI=1S/C17H21N5O5S/c1-13-3-4-15(9-14(13)2)28(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