phenyl 4-(3-ethoxypiperazin-1-yl)-3-ethyl-benzenesulfonate

Systemtic Name: phenyl 4-(3-ethoxypiperazin-1-yl)-3-ethyl-benzenesulfonate Openeye Name: phenyl 4-(3-ethoxypiperazin-1-yl)-3-ethyl-benzenesulfonate CAS Name: 4-(3-ethoxy-1-piperazinyl)-3-ethylbenzenesulfonic acid phenyl ester IUPAC Name: phenyl 4-(3-ethoxypiperazin-1-yl)-3-ethylbenzenesulfonate Traditional Name: 4-(3-ethoxypiperazino)-3-ethyl-benzenesulfonic acid phenyl ester Formula: C20H26N2O4S MolecularWeight: 390.49644

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)S(=O)(=O)OC2=CC=CC=C2)N3CCNC(C3)OCC

Isomeric SMILES

CCC1=C(C=CC(=C1)S(=O)(=O)OC2=CC=CC=C2)N3CCNC(C3)OCC

InChI

InChI=1S/C20H26N2O4S/c1-3-16-14-18(27(23,24)26-17-8-6-5-7-9-17)10-11-19(16)22-13-12-21-20(15-22)25-4-2/h5-11,14,20-21H,3-4,12-13,15H2,1-2H3