(2-ethyl-5-propan-2-yl-pyrazol-3-yl)-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: (2-ethyl-5-propan-2-yl-pyrazol-3-yl)-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: (2-ethyl-5-isopropyl-pyrazol-3-yl)-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]methanone CAS Name: (2-ethyl-5-propan-2-yl-3-pyrazolyl)-[4-(2-methyl-5-nitrophenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (2-ethyl-5-propan-2-ylpyrazol-3-yl)-[4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: (2-ethyl-5-isopropyl-pyrazol-3-yl)-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazino]methanone Formula: C20H27N5O5S MolecularWeight: 449.52388

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC(=N1)C(C)C)C(=O)N2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)[N+](=O)[O-])C

Isomeric SMILES

CCN1C(=CC(=N1)C(C)C)C(=O)N2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)[N+](=O)[O-])C

InChI

InChI=1S/C20H27N5O5S/c1-5-24-18(13-17(21-24)14(2)3)20(26)22-8-10-23(11-9-22)31(29,30)19-12-16(25(27)28)7-6-15(19)4/h6-7,12-14H,5,8-11H2,1-4H3