1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone

Systemtic Name: 1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone Openeye Name: 1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone CAS Name: 1-[4-(3-nitrophenyl)sulfonyl-1-piperazinyl]-2-(1,3,5-trimethyl-4-pyrazolyl)ethanone IUPAC Name: 1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone Traditional Name: 1-[4-(3-nitrophenyl)sulfonylpiperazino]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone Formula: C18H23N5O5S MolecularWeight: 421.47072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1C)C)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H23N5O5S/c1-13-17(14(2)20(3)19-13)12-18(24)21-7-9-22(10-8-21)29(27,28)16-6-4-5-15(11-16)23(25)26/h4-6,11H,7-10,12H2,1-3H3