2,5-dimethyl-N-(4-morpholin-4-ylsulfonylphenyl)-4-nitro-pyrazole-3-carboxamide

Systemtic Name: 2,5-dimethyl-N-(4-morpholin-4-ylsulfonylphenyl)-4-nitro-pyrazole-3-carboxamide Openeye Name: 2,5-dimethyl-N-(4-morpholinosulfonylphenyl)-4-nitro-pyrazole-3-carboxamide CAS Name: 2,5-dimethyl-N-[4-(4-morpholinylsulfonyl)phenyl]-4-nitro-3-pyrazolecarboxamide IUPAC Name: 2,5-dimethyl-N-(4-morpholin-4-ylsulfonylphenyl)-4-nitropyrazole-3-carboxamide Traditional Name: 2,5-dimethyl-N-(4-morpholinosulfonylphenyl)-4-nitro-pyrazole-3-carboxamide Formula: C16H19N5O6S MolecularWeight: 409.41696

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1[N+](=O)[O-])C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)C

Isomeric SMILES

CC1=NN(C(=C1[N+](=O)[O-])C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)C

InChI

InChI=1S/C16H19N5O6S/c1-11-14(21(23)24)15(19(2)18-11)16(22)17-12-3-5-13(6-4-12)28(25,26)20-7-9-27-10-8-20/h3-6H,7-10H2,1-2H3,(H,17,22)