2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethanone

Systemtic Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethanone Openeye Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-1-[4-(2-naphthylsulfonyl)piperazin-1-yl]ethanone CAS Name: 2-(3,5-dimethyl-4-nitro-1-pyrazolyl)-1-[4-(2-naphthalenylsulfonyl)-1-piperazinyl]ethanone IUPAC Name: 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethanone Traditional Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-1-[4-(2-naphthylsulfonyl)piperazino]ethanone Formula: C21H23N5O5S MolecularWeight: 457.50282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C21H23N5O5S/c1-15-21(26(28)29)16(2)25(22-15)14-20(27)23-9-11-24(12-10-23)32(30,31)19-8-7-17-5-3-4-6-18(17)13-19/h3-8,13H,9-12,14H2,1-2H3