2-methyl-3-(5-methyl-3-nitro-pyrazol-1-yl)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propan-1-one

Systemtic Name: 2-methyl-3-(5-methyl-3-nitro-pyrazol-1-yl)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propan-1-one Openeye Name: 2-methyl-3-(5-methyl-3-nitro-pyrazol-1-yl)-1-[4-(2-thienylsulfonyl)piperazin-1-yl]propan-1-one CAS Name: 2-methyl-3-(5-methyl-3-nitro-1-pyrazolyl)-1-(4-thiophen-2-ylsulfonyl-1-piperazinyl)-1-propanone IUPAC Name: 2-methyl-3-(5-methyl-3-nitropyrazol-1-yl)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propan-1-one Traditional Name: 2-methyl-3-(5-methyl-3-nitro-pyrazol-1-yl)-1-[4-(2-thienylsulfonyl)piperazino]propan-1-one Formula: C16H21N5O5S2 MolecularWeight: 427.49844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CC(C)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CS3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=NN1CC(C)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CS3)[N+](=O)[O-]

InChI

InChI=1S/C16H21N5O5S2/c1-12(11-20-13(2)10-14(17-20)21(23)24)16(22)18-5-7-19(8-6-18)28(25,26)15-4-3-9-27-15/h3-4,9-10,12H,5-8,11H2,1-2H3