4-chloranyl-N-(3-morpholin-4-ylsulfonylphenyl)-3-nitro-1H-pyrazole-5-carboxamide

Systemtic Name: 4-chloranyl-N-(3-morpholin-4-ylsulfonylphenyl)-3-nitro-1H-pyrazole-5-carboxamide Openeye Name: 4-chloro-N-(3-morpholinosulfonylphenyl)-3-nitro-1H-pyrazole-5-carboxamide CAS Name: 4-chloro-N-[3-(4-morpholinylsulfonyl)phenyl]-3-nitro-1H-pyrazole-5-carboxamide IUPAC Name: 4-chloro-N-(3-morpholin-4-ylsulfonylphenyl)-3-nitro-1H-pyrazole-5-carboxamide Traditional Name: 4-chloro-N-(3-morpholinosulfonylphenyl)-3-nitro-1H-pyrazole-5-carboxamide Formula: C14H14ClN5O6S MolecularWeight: 415.80886

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)NC(=O)C3=C(C(=NN3)[N+](=O)[O-])Cl

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)NC(=O)C3=C(C(=NN3)[N+](=O)[O-])Cl

InChI

InChI=1S/C14H14ClN5O6S/c15-11-12(17-18-13(11)20(22)23)14(21)16-9-2-1-3-10(8-9)27(24,25)19-4-6-26-7-5-19/h1-3,8H,4-7H2,(H,16,21)(H,17,18)