methyl 3-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]carbonylbenzoate

Systemtic Name: methyl 3-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]carbonylbenzoate Openeye Name: methyl 3-[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]benzoate CAS Name: 3-[[4-(4-methoxyphenyl)sulfonyl-1-piperazinyl]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 3-[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]benzoate Traditional Name: 3-[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]benzoic acid methyl ester Formula: C20H22N2O6S MolecularWeight: 418.46348

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC(=CC=C3)C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC(=CC=C3)C(=O)OC

InChI

InChI=1S/C20H22N2O6S/c1-27-17-6-8-18(9-7-17)29(25,26)22-12-10-21(11-13-22)19(23)15-4-3-5-16(14-15)20(24)28-2/h3-9,14H,10-13H2,1-2H3