methyl 3-(4-methylphenyl)sulfonyl-2-[(4-methylphenyl)sulfonylmethyl]quinoline-6-carboxylate

Systemtic Name: methyl 3-(4-methylphenyl)sulfonyl-2-[(4-methylphenyl)sulfonylmethyl]quinoline-6-carboxylate Openeye Name: methyl 3-(p-tolylsulfonyl)-2-(p-tolylsulfonylmethyl)quinoline-6-carboxylate CAS Name: 3-(4-methylphenyl)sulfonyl-2-[(4-methylphenyl)sulfonylmethyl]-6-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 3-(4-methylphenyl)sulfonyl-2-[(4-methylphenyl)sulfonylmethyl]quinoline-6-carboxylate Traditional Name: 3-tosyl-2-(tosylmethyl)quinoline-6-carboxylic acid methyl ester Formula: C26H23NO6S2 MolecularWeight: 509.59392

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CC2=C(C=C3C=C(C=CC3=N2)C(=O)OC)S(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CC2=C(C=C3C=C(C=CC3=N2)C(=O)OC)S(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C26H23NO6S2/c1-17-4-9-21(10-5-17)34(29,30)16-24-25(35(31,32)22-11-6-18(2)7-12-22)15-20-14-19(26(28)33-3)8-13-23(20)27-24/h4-15H,16H2,1-3H3