3-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]benzoate

Systemtic Name: 3-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]benzoate Openeye Name: 3-[4-(p-tolylsulfonyl)piperazin-1-yl]benzoate CAS Name: 3-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]benzoate IUPAC Name: 3-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]benzoate Traditional Name: 3-(4-tosylpiperazino)benzoate Formula: C18H19N2O4S- MolecularWeight: 359.41946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC=CC(=C3)C(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC=CC(=C3)C(=O)[O-]

InChI

InChI=1S/C18H20N2O4S/c1-14-5-7-17(8-6-14)25(23,24)20-11-9-19(10-12-20)16-4-2-3-15(13-16)18(21)22/h2-8,13H,9-12H2,1H3,(H,21,22)/p-1