1-(2-methyl-5-nitro-phenyl)sulfonyl-N-[2-(phenylmethyl)pyrazol-3-yl]piperidine-4-carboxamide

Systemtic Name: 1-(2-methyl-5-nitro-phenyl)sulfonyl-N-[2-(phenylmethyl)pyrazol-3-yl]piperidine-4-carboxamide Openeye Name: N-(2-benzylpyrazol-3-yl)-1-(2-methyl-5-nitro-phenyl)sulfonyl-piperidine-4-carboxamide CAS Name: 1-(2-methyl-5-nitrophenyl)sulfonyl-N-[2-(phenylmethyl)-3-pyrazolyl]-4-piperidinecarboxamide IUPAC Name: N-(2-benzylpyrazol-3-yl)-1-(2-methyl-5-nitrophenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(2-benzylpyrazol-3-yl)-1-(2-methyl-5-nitro-phenyl)sulfonyl-isonipecotamide Formula: C23H25N5O5S MolecularWeight: 483.5401

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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=NN3CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC=NN3CC4=CC=CC=C4

InChI

InChI=1S/C23H25N5O5S/c1-17-7-8-20(28(30)31)15-21(17)34(32,33)26-13-10-19(11-14-26)23(29)25-22-9-12-24-27(22)16-18-5-3-2-4-6-18/h2-9,12,15,19H,10-11,13-14,16H2,1H3,(H,25,29)