2-(3-azanyl-1,2-benzoxazol-5-yl)-5-ethyl-N-[4-(2-methylsulfonylphenyl)-3-nitro-phenyl]pyrazole-3-carboxamide

Systemtic Name: 2-(3-azanyl-1,2-benzoxazol-5-yl)-5-ethyl-N-[4-(2-methylsulfonylphenyl)-3-nitro-phenyl]pyrazole-3-carboxamide Openeye Name: 2-(3-amino-1,2-benzoxazol-5-yl)-5-ethyl-N-[4-(2-methylsulfonylphenyl)-3-nitro-phenyl]pyrazole-3-carboxamide CAS Name: 2-(3-amino-1,2-benzoxazol-5-yl)-5-ethyl-N-[4-(2-methylsulfonylphenyl)-3-nitrophenyl]-3-pyrazolecarboxamide IUPAC Name: 2-(3-amino-1,2-benzoxazol-5-yl)-5-ethyl-N-[4-(2-methylsulfonylphenyl)-3-nitrophenyl]pyrazole-3-carboxamide Traditional Name: 2-(3-aminoindoxazen-5-yl)-5-ethyl-N-[4-(2-mesylphenyl)-3-nitro-phenyl]pyrazole-3-carboxamide Formula: C26H22N6O6S MolecularWeight: 546.55448

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C(=C1)C(=O)NC2=CC(=C(C=C2)C3=CC=CC=C3S(=O)(=O)C)[N+](=O)[O-])C4=CC5=C(C=C4)ON=C5N

Isomeric SMILES

CCC1=NN(C(=C1)C(=O)NC2=CC(=C(C=C2)C3=CC=CC=C3S(=O)(=O)C)[N+](=O)[O-])C4=CC5=C(C=C4)ON=C5N

InChI

InChI=1S/C26H22N6O6S/c1-3-15-12-22(31(29-15)17-9-11-23-20(14-17)25(27)30-38-23)26(33)28-16-8-10-18(21(13-16)32(34)35)19-6-4-5-7-24(19)39(2,36)37/h4-14H,3H2,1-2H3,(H2,27,30)(H,28,33)