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

Systemtic Name: 3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propan-1-one Openeye Name: 3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-1-[4-(2-thienylsulfonyl)piperazin-1-yl]propan-1-one CAS Name: 3-(3,5-dimethyl-4-nitro-1-pyrazolyl)-1-(4-thiophen-2-ylsulfonyl-1-piperazinyl)-1-propanone IUPAC Name: 3-(3,5-dimethyl-4-nitropyrazol-1-yl)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propan-1-one Traditional Name: 3-(3,5-dimethyl-4-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=C(C(=NN1CCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CS3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CS3)C)[N+](=O)[O-]

InChI

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