4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]carbonylbenzoate

Systemtic Name: 4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]carbonylbenzoate Openeye Name: 4-[4-(p-tolylsulfonyl)piperazine-1-carbonyl]benzoate CAS Name: 4-[[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-oxomethyl]benzoate IUPAC Name: 4-[4-(4-methylphenyl)sulfonylpiperazine-1-carbonyl]benzoate Traditional Name: 4-(4-tosylpiperazine-1-carbonyl)benzoate Formula: C19H19N2O5S- MolecularWeight: 387.42956

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N2O5S/c1-14-2-8-17(9-3-14)27(25,26)21-12-10-20(11-13-21)18(22)15-4-6-16(7-5-15)19(23)24/h2-9H,10-13H2,1H3,(H,23,24)/p-1