phenyl 5-ethoxy-2-(3-ethoxypiperazin-1-yl)benzenesulfonate

Systemtic Name: phenyl 5-ethoxy-2-(3-ethoxypiperazin-1-yl)benzenesulfonate Openeye Name: phenyl 5-ethoxy-2-(3-ethoxypiperazin-1-yl)benzenesulfonate CAS Name: 5-ethoxy-2-(3-ethoxy-1-piperazinyl)benzenesulfonic acid phenyl ester IUPAC Name: phenyl 5-ethoxy-2-(3-ethoxypiperazin-1-yl)benzenesulfonate Traditional Name: 5-ethoxy-2-(3-ethoxypiperazino)benzenesulfonic acid phenyl ester Formula: C20H26N2O5S MolecularWeight: 406.49584

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1CN(CCN1)C2=C(C=C(C=C2)OCC)S(=O)(=O)OC3=CC=CC=C3

Isomeric SMILES

CCOC1CN(CCN1)C2=C(C=C(C=C2)OCC)S(=O)(=O)OC3=CC=CC=C3

InChI

InChI=1S/C20H26N2O5S/c1-3-25-17-10-11-18(22-13-12-21-20(15-22)26-4-2)19(14-17)28(23,24)27-16-8-6-5-7-9-16/h5-11,14,20-21H,3-4,12-13,15H2,1-2H3