ethyl 5-azanyl-1-[(2-methoxycarbonylphenyl)sulfonylcarbamoyl]-3-(phenylmethylsulfanyl)pyrazole-4-carboxylate

Systemtic Name: ethyl 5-azanyl-1-[(2-methoxycarbonylphenyl)sulfonylcarbamoyl]-3-(phenylmethylsulfanyl)pyrazole-4-carboxylate Openeye Name: ethyl 5-amino-3-benzylsulfanyl-1-[(2-methoxycarbonylphenyl)sulfonylcarbamoyl]pyrazole-4-carboxylate CAS Name: 5-amino-1-[[(2-methoxycarbonylphenyl)sulfonylamino]-oxomethyl]-3-(phenylmethylthio)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-3-benzylsulfanyl-1-[(2-methoxycarbonylphenyl)sulfonylcarbamoyl]pyrazole-4-carboxylate Traditional Name: 5-amino-3-(benzylthio)-1-[(2-carbomethoxyphenyl)sulfonylcarbamoyl]pyrazole-4-carboxylic acid ethyl ester Formula: C22H22N4O7S2 MolecularWeight: 518.56268

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1SCC2=CC=CC=C2)C(=O)NS(=O)(=O)C3=CC=CC=C3C(=O)OC)N

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1SCC2=CC=CC=C2)C(=O)NS(=O)(=O)C3=CC=CC=C3C(=O)OC)N

InChI

InChI=1S/C22H22N4O7S2/c1-3-33-21(28)17-18(23)26(24-19(17)34-13-14-9-5-4-6-10-14)22(29)25-35(30,31)16-12-8-7-11-15(16)20(27)32-2/h4-12H,3,13,23H2,1-2H3,(H,25,29)