methyl 4-[[4-(3-ethanoylphenyl)sulfonylpiperazin-1-yl]methyl]benzoate

Systemtic Name: methyl 4-[[4-(3-ethanoylphenyl)sulfonylpiperazin-1-yl]methyl]benzoate Openeye Name: methyl 4-[[4-(3-acetylphenyl)sulfonylpiperazin-1-yl]methyl]benzoate CAS Name: 4-[[4-(3-acetylphenyl)sulfonyl-1-piperazinyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-(3-acetylphenyl)sulfonylpiperazin-1-yl]methyl]benzoate Traditional Name: 4-[[4-(3-acetylphenyl)sulfonylpiperazino]methyl]benzoic acid methyl ester Formula: C21H24N2O5S MolecularWeight: 416.49066

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCN(CC2)CC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCN(CC2)CC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C21H24N2O5S/c1-16(24)19-4-3-5-20(14-19)29(26,27)23-12-10-22(11-13-23)15-17-6-8-18(9-7-17)21(25)28-2/h3-9,14H,10-13,15H2,1-2H3