methyl 2-[4-(3-hydroxyphenyl)piperazin-1-yl]sulfonylbenzoate

Systemtic Name: methyl 2-[4-(3-hydroxyphenyl)piperazin-1-yl]sulfonylbenzoate Openeye Name: methyl 2-[4-(3-hydroxyphenyl)piperazin-1-yl]sulfonylbenzoate CAS Name: 2-[[4-(3-hydroxyphenyl)-1-piperazinyl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-(3-hydroxyphenyl)piperazin-1-yl]sulfonylbenzoate Traditional Name: 2-[4-(3-hydroxyphenyl)piperazino]sulfonylbenzoic acid methyl ester Formula: C18H20N2O5S MolecularWeight: 376.4268

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1S(=O)(=O)N2CCN(CC2)C3=CC(=CC=C3)O

Isomeric SMILES

COC(=O)C1=CC=CC=C1S(=O)(=O)N2CCN(CC2)C3=CC(=CC=C3)O

InChI

InChI=1S/C18H20N2O5S/c1-25-18(22)16-7-2-3-8-17(16)26(23,24)20-11-9-19(10-12-20)14-5-4-6-15(21)13-14/h2-8,13,21H,9-12H2,1H3