methyl 4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]sulfonylbenzoate

Systemtic Name: methyl 4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]sulfonylbenzoate Openeye Name: methyl 4-[4-(p-tolylsulfonyl)piperazin-1-yl]sulfonylbenzoate CAS Name: 4-[[4-(4-methylphenyl)sulfonyl-1-piperazinyl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]sulfonylbenzoate Traditional Name: 4-(4-tosylpiperazino)sulfonylbenzoic acid methyl ester Formula: C19H22N2O6S2 MolecularWeight: 438.51778

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N2O6S2/c1-15-3-7-17(8-4-15)28(23,24)20-11-13-21(14-12-20)29(25,26)18-9-5-16(6-10-18)19(22)27-2/h3-10H,11-14H2,1-2H3