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

Systemtic Name: methyl 3-[4-(3-ethanoylphenyl)sulfonylpiperazin-1-yl]carbonylbenzoate Openeye Name: methyl 3-[4-(3-acetylphenyl)sulfonylpiperazine-1-carbonyl]benzoate CAS Name: 3-[[4-(3-acetylphenyl)sulfonyl-1-piperazinyl]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 3-[4-(3-acetylphenyl)sulfonylpiperazine-1-carbonyl]benzoate Traditional Name: 3-[4-(3-acetylphenyl)sulfonylpiperazine-1-carbonyl]benzoic acid methyl ester Formula: C21H22N2O6S MolecularWeight: 430.47418

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O6S/c1-15(24)16-5-4-8-19(14-16)30(27,28)23-11-9-22(10-12-23)20(25)17-6-3-7-18(13-17)21(26)29-2/h3-8,13-14H,9-12H2,1-2H3