N-(4-morpholin-4-ylsulfonylphenyl)-1-[(3-nitro-1,2,4-triazol-1-yl)methyl]pyrazole-3-carboxamide

Systemtic Name: N-(4-morpholin-4-ylsulfonylphenyl)-1-[(3-nitro-1,2,4-triazol-1-yl)methyl]pyrazole-3-carboxamide Openeye Name: N-(4-morpholinosulfonylphenyl)-1-[(3-nitro-1,2,4-triazol-1-yl)methyl]pyrazole-3-carboxamide CAS Name: N-[4-(4-morpholinylsulfonyl)phenyl]-1-[(3-nitro-1,2,4-triazol-1-yl)methyl]-3-pyrazolecarboxamide IUPAC Name: N-(4-morpholin-4-ylsulfonylphenyl)-1-[(3-nitro-1,2,4-triazol-1-yl)methyl]pyrazole-3-carboxamide Traditional Name: N-(4-morpholinosulfonylphenyl)-1-[(3-nitro-1,2,4-triazol-1-yl)methyl]pyrazole-3-carboxamide Formula: C17H18N8O6S MolecularWeight: 462.43982

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=NN(C=C3)CN4C=NC(=N4)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=NN(C=C3)CN4C=NC(=N4)[N+](=O)[O-]

InChI

InChI=1S/C17H18N8O6S/c26-16(15-5-6-22(20-15)12-23-11-18-17(21-23)25(27)28)19-13-1-3-14(4-2-13)32(29,30)24-7-9-31-10-8-24/h1-6,11H,7-10,12H2,(H,19,26)