2-(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)-5-thiophen-2-yl-pyrazole-3-carboxylic acid

Systemtic Name: 2-(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)-5-thiophen-2-yl-pyrazole-3-carboxylic acid Openeye Name: 2-(4-morpholinosulfonyl-2-nitro-phenyl)-5-(2-thienyl)pyrazole-3-carboxylic acid CAS Name: 2-[4-(4-morpholinylsulfonyl)-2-nitrophenyl]-5-thiophen-2-yl-3-pyrazolecarboxylic acid IUPAC Name: 2-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)-5-thiophen-2-ylpyrazole-3-carboxylic acid Traditional Name: 2-(4-morpholinosulfonyl-2-nitro-phenyl)-5-(2-thienyl)pyrazole-3-carboxylic acid Formula: C18H16N4O7S2 MolecularWeight: 464.47224

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)N3C(=CC(=N3)C4=CC=CS4)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)N3C(=CC(=N3)C4=CC=CS4)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C18H16N4O7S2/c23-18(24)16-11-13(17-2-1-9-30-17)19-21(16)14-4-3-12(10-15(14)22(25)26)31(27,28)20-5-7-29-8-6-20/h1-4,9-11H,5-8H2,(H,23,24)