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

Systemtic Name: methyl 4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]carbonylbenzoate Openeye Name: methyl 4-[4-(p-tolylsulfonyl)piperazine-1-carbonyl]benzoate CAS Name: 4-[[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-(4-methylphenyl)sulfonylpiperazine-1-carbonyl]benzoate Traditional Name: 4-(4-tosylpiperazine-1-carbonyl)benzoic acid methyl ester Formula: C20H22N2O5S MolecularWeight: 402.46408

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O5S/c1-15-3-9-18(10-4-15)28(25,26)22-13-11-21(12-14-22)19(23)16-5-7-17(8-6-16)20(24)27-2/h3-10H,11-14H2,1-2H3