phenyl 2-(3-oxidanylpiperazin-1-yl)-5-propan-2-ylsulfonyl-benzenesulfonate

Systemtic Name: phenyl 2-(3-oxidanylpiperazin-1-yl)-5-propan-2-ylsulfonyl-benzenesulfonate Openeye Name: phenyl 2-(3-hydroxypiperazin-1-yl)-5-isopropylsulfonyl-benzenesulfonate CAS Name: 2-(3-hydroxy-1-piperazinyl)-5-propan-2-ylsulfonylbenzenesulfonic acid phenyl ester IUPAC Name: phenyl 2-(3-hydroxypiperazin-1-yl)-5-propan-2-ylsulfonylbenzenesulfonate Traditional Name: 2-(3-hydroxypiperazino)-5-isopropylsulfonyl-benzenesulfonic acid phenyl ester Formula: C19H24N2O6S2 MolecularWeight: 440.53366

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=CC(=C(C=C1)N2CCNC(C2)O)S(=O)(=O)OC3=CC=CC=C3

Isomeric SMILES

CC(C)S(=O)(=O)C1=CC(=C(C=C1)N2CCNC(C2)O)S(=O)(=O)OC3=CC=CC=C3

InChI

InChI=1S/C19H24N2O6S2/c1-14(2)28(23,24)16-8-9-17(21-11-10-20-19(22)13-21)18(12-16)29(25,26)27-15-6-4-3-5-7-15/h3-9,12,14,19-20,22H,10-11,13H2,1-2H3