ethyl 5-[(2-ethoxycarbonylphenyl)sulfonylcarbamoylamino]-3-(phenylmethylsulfanyl)-1H-pyrazole-4-carboxylate

Systemtic Name: ethyl 5-[(2-ethoxycarbonylphenyl)sulfonylcarbamoylamino]-3-(phenylmethylsulfanyl)-1H-pyrazole-4-carboxylate Openeye Name: ethyl 3-benzylsulfanyl-5-[(2-ethoxycarbonylphenyl)sulfonylcarbamoylamino]-1H-pyrazole-4-carboxylate CAS Name: 5-[[[(2-ethoxycarbonylphenyl)sulfonylamino]-oxomethyl]amino]-3-(phenylmethylthio)-1H-pyrazole-4-carboxylic acid ethyl ester IUPAC Name: ethyl 3-benzylsulfanyl-5-[(2-ethoxycarbonylphenyl)sulfonylcarbamoylamino]-1H-pyrazole-4-carboxylate Traditional Name: 3-(benzylthio)-5-[(2-carbethoxyphenyl)sulfonylcarbamoylamino]-1H-pyrazole-4-carboxylic acid ethyl ester Formula: C23H24N4O7S2 MolecularWeight: 532.58926

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1S(=O)(=O)NC(=O)NC2=C(C(=NN2)SCC3=CC=CC=C3)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1S(=O)(=O)NC(=O)NC2=C(C(=NN2)SCC3=CC=CC=C3)C(=O)OCC

InChI

InChI=1S/C23H24N4O7S2/c1-3-33-21(28)16-12-8-9-13-17(16)36(31,32)27-23(30)24-19-18(22(29)34-4-2)20(26-25-19)35-14-15-10-6-5-7-11-15/h5-13H,3-4,14H2,1-2H3,(H3,24,25,26,27,30)