2-methyl-N-[4-(methylsulfamoylmethyl)phenyl]-4-nitro-5-propyl-pyrazole-3-carboxamide

Systemtic Name: 2-methyl-N-[4-(methylsulfamoylmethyl)phenyl]-4-nitro-5-propyl-pyrazole-3-carboxamide Openeye Name: 2-methyl-N-[4-(methylsulfamoylmethyl)phenyl]-4-nitro-5-propyl-pyrazole-3-carboxamide CAS Name: 2-methyl-N-[4-(methylsulfamoylmethyl)phenyl]-4-nitro-5-propyl-3-pyrazolecarboxamide IUPAC Name: 2-methyl-N-[4-(methylsulfamoylmethyl)phenyl]-4-nitro-5-propylpyrazole-3-carboxamide Traditional Name: 2-methyl-N-[4-(methylsulfamoylmethyl)phenyl]-4-nitro-5-propyl-pyrazole-3-carboxamide Formula: C16H21N5O5S MolecularWeight: 395.43344

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=C1[N+](=O)[O-])C(=O)NC2=CC=C(C=C2)CS(=O)(=O)NC)C

Isomeric SMILES

CCCC1=NN(C(=C1[N+](=O)[O-])C(=O)NC2=CC=C(C=C2)CS(=O)(=O)NC)C

InChI

InChI=1S/C16H21N5O5S/c1-4-5-13-14(21(23)24)15(20(3)19-13)16(22)18-12-8-6-11(7-9-12)10-27(25,26)17-2/h6-9,17H,4-5,10H2,1-3H3,(H,18,22)