ethyl 5-[bis(methylsulfonyl)amino]-1-(4-tert-butylphenyl)pyrazole-4-carboxylate

Systemtic Name: ethyl 5-[bis(methylsulfonyl)amino]-1-(4-tert-butylphenyl)pyrazole-4-carboxylate Openeye Name: ethyl 5-[bis(methylsulfonyl)amino]-1-(4-tert-butylphenyl)pyrazole-4-carboxylate CAS Name: 5-[bis(methylsulfonyl)amino]-1-(4-tert-butylphenyl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[bis(methylsulfonyl)amino]-1-(4-tert-butylphenyl)pyrazole-4-carboxylate Traditional Name: 1-(4-tert-butylphenyl)-5-(dimesylamino)pyrazole-4-carboxylic acid ethyl ester Formula: C18H25N3O6S2 MolecularWeight: 443.5376

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(C)(C)C)N(S(=O)(=O)C)S(=O)(=O)C

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(C)(C)C)N(S(=O)(=O)C)S(=O)(=O)C

InChI

InChI=1S/C18H25N3O6S2/c1-7-27-17(22)15-12-19-20(14-10-8-13(9-11-14)18(2,3)4)16(15)21(28(5,23)24)29(6,25)26/h8-12H,7H2,1-6H3