N'-(3-methylbutanoyl)-1-(2-methyl-5-nitro-phenyl)sulfonyl-piperidine-4-carbohydrazide

Systemtic Name: N'-(3-methylbutanoyl)-1-(2-methyl-5-nitro-phenyl)sulfonyl-piperidine-4-carbohydrazide Openeye Name: N'-(3-methylbutanoyl)-1-(2-methyl-5-nitro-phenyl)sulfonyl-piperidine-4-carbohydrazide CAS Name: 1-(2-methyl-5-nitrophenyl)sulfonyl-N'-(3-methyl-1-oxobutyl)-4-piperidinecarbohydrazide IUPAC Name: N'-(3-methylbutanoyl)-1-(2-methyl-5-nitrophenyl)sulfonylpiperidine-4-carbohydrazide Traditional Name: N'-isovaleryl-1-(2-methyl-5-nitro-phenyl)sulfonyl-isonipecotohydrazide Formula: C18H26N4O6S MolecularWeight: 426.48724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCC(CC2)C(=O)NNC(=O)CC(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCC(CC2)C(=O)NNC(=O)CC(C)C

InChI

InChI=1S/C18H26N4O6S/c1-12(2)10-17(23)19-20-18(24)14-6-8-21(9-7-14)29(27,28)16-11-15(22(25)26)5-4-13(16)3/h4-5,11-12,14H,6-10H2,1-3H3,(H,19,23)(H,20,24)