[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone

Systemtic Name: [4-(4-nitrophenyl)sulfonylpiperazin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone Openeye Name: [4-(4-nitrophenyl)sulfonylpiperazin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone CAS Name: [4-(4-nitrophenyl)sulfonyl-1-piperazinyl]-(5-propyl-1H-pyrazol-3-yl)methanone IUPAC Name: [4-(4-nitrophenyl)sulfonylpiperazin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone Traditional Name: (4-nosylpiperazino)-(5-propyl-1H-pyrazol-3-yl)methanone Formula: C17H21N5O5S MolecularWeight: 407.44414

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NN1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCC1=CC(=NN1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

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