phenyl 5-methoxy-2-(3-oxidanylpiperazin-1-yl)benzenesulfonate

Systemtic Name: phenyl 5-methoxy-2-(3-oxidanylpiperazin-1-yl)benzenesulfonate Openeye Name: phenyl 2-(3-hydroxypiperazin-1-yl)-5-methoxy-benzenesulfonate CAS Name: 2-(3-hydroxy-1-piperazinyl)-5-methoxybenzenesulfonic acid phenyl ester IUPAC Name: phenyl 2-(3-hydroxypiperazin-1-yl)-5-methoxybenzenesulfonate Traditional Name: 2-(3-hydroxypiperazino)-5-methoxy-benzenesulfonic acid phenyl ester Formula: C17H20N2O5S MolecularWeight: 364.4161

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)N2CCNC(C2)O)S(=O)(=O)OC3=CC=CC=C3

Isomeric SMILES

COC1=CC(=C(C=C1)N2CCNC(C2)O)S(=O)(=O)OC3=CC=CC=C3

InChI

InChI=1S/C17H20N2O5S/c1-23-14-7-8-15(19-10-9-18-17(20)12-19)16(11-14)25(21,22)24-13-5-3-2-4-6-13/h2-8,11,17-18,20H,9-10,12H2,1H3