(1-tert-butyl-5-methyl-pyrazol-4-yl)-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: (1-tert-butyl-5-methyl-pyrazol-4-yl)-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: (1-tert-butyl-5-methyl-pyrazol-4-yl)-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methanone CAS Name: (1-tert-butyl-5-methyl-4-pyrazolyl)-[4-(3-nitrophenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (1-tert-butyl-5-methylpyrazol-4-yl)-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: (1-tert-butyl-5-methyl-pyrazol-4-yl)-[4-(3-nitrophenyl)sulfonylpiperazino]methanone Formula: C19H25N5O5S MolecularWeight: 435.4973

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N5O5S/c1-14-17(13-20-23(14)19(2,3)4)18(25)21-8-10-22(11-9-21)30(28,29)16-7-5-6-15(12-16)24(26)27/h5-7,12-13H,8-11H2,1-4H3