2-(1-cyclopropylimidazol-2-yl)sulfanyl-1-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 2-(1-cyclopropylimidazol-2-yl)sulfanyl-1-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 2-(1-cyclopropylimidazol-2-yl)sulfanyl-1-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]ethanone CAS Name: 2-[(1-cyclopropyl-2-imidazolyl)thio]-1-[4-(4-nitrophenyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 2-(1-cyclopropylimidazol-2-yl)sulfanyl-1-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]ethanone Traditional Name: 2-[(1-cyclopropylimidazol-2-yl)thio]-1-(4-nosylpiperazino)ethanone Formula: C18H21N5O5S2 MolecularWeight: 451.51984

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=CN=C2SCC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CC1N2C=CN=C2SCC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H21N5O5S2/c24-17(13-29-18-19-7-8-22(18)14-1-2-14)20-9-11-21(12-10-20)30(27,28)16-5-3-15(4-6-16)23(25)26/h3-8,14H,1-2,9-13H2