1-[4-[(4-ethoxycarbonylphenyl)sulfonylamino]phenyl]-5-ethyl-pyrazole-4-carboximidate

Systemtic Name: 1-[4-[(4-ethoxycarbonylphenyl)sulfonylamino]phenyl]-5-ethyl-pyrazole-4-carboximidate Openeye Name: 1-[4-[(4-ethoxycarbonylphenyl)sulfonylamino]phenyl]-5-ethyl-pyrazole-4-carboximidate CAS Name: 1-[4-[(4-ethoxycarbonylphenyl)sulfonylamino]phenyl]-5-ethyl-4-pyrazolecarboximidate IUPAC Name: 1-[4-[(4-ethoxycarbonylphenyl)sulfonylamino]phenyl]-5-ethylpyrazole-4-carboximidate Traditional Name: 1-[4-[(4-carbethoxyphenyl)sulfonylamino]phenyl]-5-ethyl-pyrazole-4-carboximidate Formula: C21H21N4O5S- MolecularWeight: 441.48024

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=NN1C2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)C(=O)OCC)C(=N)[O-]

Isomeric SMILES

CCC1=C(C=NN1C2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)C(=O)OCC)C(=N)[O-]

InChI

InChI=1S/C21H22N4O5S/c1-3-19-18(20(22)26)13-23-25(19)16-9-7-15(8-10-16)24-31(28,29)17-11-5-14(6-12-17)21(27)30-4-2/h5-13,24H,3-4H2,1-2H3,(H2,22,26)/p-1