N-(2,5-dimethylpyrazol-3-yl)-1-(2-methyl-5-nitro-phenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(2,5-dimethylpyrazol-3-yl)-1-(2-methyl-5-nitro-phenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(2,5-dimethylpyrazol-3-yl)-1-(2-methyl-5-nitro-phenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(2,5-dimethyl-3-pyrazolyl)-1-(2-methyl-5-nitrophenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(2,5-dimethylpyrazol-3-yl)-1-(2-methyl-5-nitrophenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(2,5-dimethylpyrazol-3-yl)-1-(2-methyl-5-nitro-phenyl)sulfonyl-isonipecotamide Formula: C18H23N5O5S MolecularWeight: 421.47072

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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)NC3=CC(=NN3C)C

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC(=NN3C)C

InChI

InChI=1S/C18H23N5O5S/c1-12-4-5-15(23(25)26)11-16(12)29(27,28)22-8-6-14(7-9-22)18(24)19-17-10-13(2)20-21(17)3/h4-5,10-11,14H,6-9H2,1-3H3,(H,19,24)