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

Systemtic Name: 2-methyl-N-[4-(morpholin-4-ylsulfonylmethyl)phenyl]-4-nitro-5-propyl-pyrazole-3-carboxamide Openeye Name: 2-methyl-N-[4-(morpholinosulfonylmethyl)phenyl]-4-nitro-5-propyl-pyrazole-3-carboxamide CAS Name: 2-methyl-N-[4-(4-morpholinylsulfonylmethyl)phenyl]-4-nitro-5-propyl-3-pyrazolecarboxamide IUPAC Name: 2-methyl-N-[4-(morpholin-4-ylsulfonylmethyl)phenyl]-4-nitro-5-propylpyrazole-3-carboxamide Traditional Name: 2-methyl-N-[4-(morpholinosulfonylmethyl)phenyl]-4-nitro-5-propyl-pyrazole-3-carboxamide Formula: C19H25N5O6S MolecularWeight: 451.4967

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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)N3CCOCC3)C

Isomeric SMILES

CCCC1=NN(C(=C1[N+](=O)[O-])C(=O)NC2=CC=C(C=C2)CS(=O)(=O)N3CCOCC3)C

InChI

InChI=1S/C19H25N5O6S/c1-3-4-16-17(24(26)27)18(22(2)21-16)19(25)20-15-7-5-14(6-8-15)13-31(28,29)23-9-11-30-12-10-23/h5-8H,3-4,9-13H2,1-2H3,(H,20,25)