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

Systemtic Name: 1-(2-methyl-5-nitro-phenyl)sulfonyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide Openeye Name: 1-(2-methyl-5-nitro-phenyl)sulfonyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide CAS Name: 1-(2-methyl-5-nitrophenyl)sulfonyl-N-[[2-(1-pyrazolylmethyl)phenyl]methyl]-4-piperidinecarboxamide IUPAC Name: 1-(2-methyl-5-nitrophenyl)sulfonyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide Traditional Name: 1-(2-methyl-5-nitro-phenyl)sulfonyl-N-[2-(pyrazol-1-ylmethyl)benzyl]isonipecotamide Formula: C24H27N5O5S MolecularWeight: 497.56668

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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)NCC3=CC=CC=C3CN4C=CC=N4

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCC(CC2)C(=O)NCC3=CC=CC=C3CN4C=CC=N4

InChI

InChI=1S/C24H27N5O5S/c1-18-7-8-22(29(31)32)15-23(18)35(33,34)28-13-9-19(10-14-28)24(30)25-16-20-5-2-3-6-21(20)17-27-12-4-11-26-27/h2-8,11-12,15,19H,9-10,13-14,16-17H2,1H3,(H,25,30)