3-(3-nitropyrazol-1-yl)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propan-1-one

Systemtic Name: 3-(3-nitropyrazol-1-yl)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propan-1-one Openeye Name: 3-(3-nitropyrazol-1-yl)-1-[4-(2-thienylsulfonyl)piperazin-1-yl]propan-1-one CAS Name: 3-(3-nitro-1-pyrazolyl)-1-(4-thiophen-2-ylsulfonyl-1-piperazinyl)-1-propanone IUPAC Name: 3-(3-nitropyrazol-1-yl)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propan-1-one Traditional Name: 3-(3-nitropyrazol-1-yl)-1-[4-(2-thienylsulfonyl)piperazino]propan-1-one Formula: C14H17N5O5S2 MolecularWeight: 399.44528

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CCN2C=CC(=N2)[N+](=O)[O-])S(=O)(=O)C3=CC=CS3

Isomeric SMILES

C1CN(CCN1C(=O)CCN2C=CC(=N2)[N+](=O)[O-])S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C14H17N5O5S2/c20-13(4-6-17-5-3-12(15-17)19(21)22)16-7-9-18(10-8-16)26(23,24)14-2-1-11-25-14/h1-3,5,11H,4,6-10H2