methyl 5-[4-(2-hydroxyethyl)piperazin-1-yl]sulfonyl-2-propoxy-benzoate

Systemtic Name: methyl 5-[4-(2-hydroxyethyl)piperazin-1-yl]sulfonyl-2-propoxy-benzoate Openeye Name: methyl 5-[4-(2-hydroxyethyl)piperazin-1-yl]sulfonyl-2-propoxy-benzoate CAS Name: 5-[[4-(2-hydroxyethyl)-1-piperazinyl]sulfonyl]-2-propoxybenzoic acid methyl ester IUPAC Name: methyl 5-[4-(2-hydroxyethyl)piperazin-1-yl]sulfonyl-2-propoxybenzoate Traditional Name: 5-[4-(2-hydroxyethyl)piperazino]sulfonyl-2-propoxy-benzoic acid methyl ester Formula: C17H26N2O6S MolecularWeight: 388.455682

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)CCO)C(=O)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)CCO)[14C](=O)OC

InChI

InChI=1S/C17H26N2O6S/c1-3-12-25-16-5-4-14(13-15(16)17(21)24-2)26(22,23)19-8-6-18(7-9-19)10-11-20/h4-5,13,20H,3,6-12H2,1-2H3/i17+2