tert-butyl 4-methyl-2-(4-methylphenyl)sulfonyl-3-[1-(4-methylphenyl)sulfonylethyl]-5-oxidanylidene-1H-pyrrole-2-carboxylate

Systemtic Name: tert-butyl 4-methyl-2-(4-methylphenyl)sulfonyl-3-[1-(4-methylphenyl)sulfonylethyl]-5-oxidanylidene-1H-pyrrole-2-carboxylate Openeye Name: tert-butyl 4-methyl-5-oxo-2-(p-tolylsulfonyl)-3-[1-(p-tolylsulfonyl)ethyl]-1H-pyrrole-2-carboxylate CAS Name: 4-methyl-2-(4-methylphenyl)sulfonyl-3-[1-(4-methylphenyl)sulfonylethyl]-5-oxo-1H-pyrrole-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-methyl-2-(4-methylphenyl)sulfonyl-3-[1-(4-methylphenyl)sulfonylethyl]-5-oxo-1H-pyrrole-2-carboxylate Traditional Name: 5-keto-4-methyl-2-tosyl-3-(1-tosylethyl)-3-pyrroline-2-carboxylic acid tert-butyl ester Formula: C26H31NO7S2 MolecularWeight: 533.65684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(C)C2=C(C(=O)NC2(C(=O)OC(C)(C)C)S(=O)(=O)C3=CC=C(C=C3)C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(C)C2=C(C(=O)NC2(C(=O)OC(C)(C)C)S(=O)(=O)C3=CC=C(C=C3)C)C

InChI

InChI=1S/C26H31NO7S2/c1-16-8-12-20(13-9-16)35(30,31)19(4)22-18(3)23(28)27-26(22,24(29)34-25(5,6)7)36(32,33)21-14-10-17(2)11-15-21/h8-15,19H,1-7H3,(H,27,28)