methyl 4-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]sulfonylmethyl]benzoate

Systemtic Name: methyl 4-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]sulfonylmethyl]benzoate Openeye Name: methyl 4-[[4-(p-tolylsulfonyl)piperazin-1-yl]sulfonylmethyl]benzoate CAS Name: 4-[[4-(4-methylphenyl)sulfonyl-1-piperazinyl]sulfonylmethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]sulfonylmethyl]benzoate Traditional Name: 4-[(4-tosylpiperazino)sulfonylmethyl]benzoic acid methyl ester Formula: C20H24N2O6S2 MolecularWeight: 452.54436

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)S(=O)(=O)CC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)S(=O)(=O)CC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C20H24N2O6S2/c1-16-3-9-19(10-4-16)30(26,27)22-13-11-21(12-14-22)29(24,25)15-17-5-7-18(8-6-17)20(23)28-2/h3-10H,11-15H2,1-2H3