methyl 2-[[4-(4-methylphenyl)sulfonyl-1H-pyrrol-3-yl]sulfonyl]ethanoate

Systemtic Name: methyl 2-[[4-(4-methylphenyl)sulfonyl-1H-pyrrol-3-yl]sulfonyl]ethanoate Openeye Name: methyl 2-[[4-(p-tolylsulfonyl)-1H-pyrrol-3-yl]sulfonyl]acetate CAS Name: 2-[[4-(4-methylphenyl)sulfonyl-1H-pyrrol-3-yl]sulfonyl]acetic acid methyl ester IUPAC Name: methyl 2-[[4-(4-methylphenyl)sulfonyl-1H-pyrrol-3-yl]sulfonyl]acetate Traditional Name: 2-[(4-tosyl-1H-pyrrol-3-yl)sulfonyl]acetic acid methyl ester Formula: C14H15NO6S2 MolecularWeight: 357.402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=CNC=C2S(=O)(=O)CC(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=CNC=C2S(=O)(=O)CC(=O)OC

InChI

InChI=1S/C14H15NO6S2/c1-10-3-5-11(6-4-10)23(19,20)13-8-15-7-12(13)22(17,18)9-14(16)21-2/h3-8,15H,9H2,1-2H3