[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone

Systemtic Name: [4-(4-nitrophenyl)sulfonylpiperazin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone Openeye Name: [4-(4-nitrophenyl)sulfonylpiperazin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone CAS Name: [4-(4-nitrophenyl)sulfonyl-1-piperazinyl]-(1,3,5-trimethyl-4-pyrazolyl)methanone IUPAC Name: [4-(4-nitrophenyl)sulfonylpiperazin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone Traditional Name: (4-nosylpiperazino)-(1,3,5-trimethylpyrazol-4-yl)methanone Formula: C17H21N5O5S MolecularWeight: 407.44414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1C)C)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H21N5O5S/c1-12-16(13(2)19(3)18-12)17(23)20-8-10-21(11-9-20)28(26,27)15-6-4-14(5-7-15)22(24)25/h4-7H,8-11H2,1-3H3