methyl 4-[4-(3-methoxyphenyl)carbonylpiperazin-1-yl]sulfonylbenzoate

Systemtic Name: methyl 4-[4-(3-methoxyphenyl)carbonylpiperazin-1-yl]sulfonylbenzoate Openeye Name: methyl 4-[4-(3-methoxybenzoyl)piperazin-1-yl]sulfonylbenzoate CAS Name: 4-[[4-[(3-methoxyphenyl)-oxomethyl]-1-piperazinyl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-(3-methoxybenzoyl)piperazin-1-yl]sulfonylbenzoate Traditional Name: 4-(4-m-anisoylpiperazino)sulfonylbenzoic acid methyl ester Formula: C20H22N2O6S MolecularWeight: 418.46348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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