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

Systemtic Name: phenyl 4-(3-ethoxypiperazin-1-yl)-3-phenyl-benzenesulfonate Openeye Name: phenyl 4-(3-ethoxypiperazin-1-yl)-3-phenyl-benzenesulfonate CAS Name: 4-(3-ethoxy-1-piperazinyl)-3-phenylbenzenesulfonic acid phenyl ester IUPAC Name: phenyl 4-(3-ethoxypiperazin-1-yl)-3-phenylbenzenesulfonate Traditional Name: 4-(3-ethoxypiperazino)-3-phenyl-benzenesulfonic acid phenyl ester Formula: C24H26N2O4S MolecularWeight: 438.53924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1CN(CCN1)C2=C(C=C(C=C2)S(=O)(=O)OC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCOC1CN(CCN1)C2=C(C=C(C=C2)S(=O)(=O)OC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C24H26N2O4S/c1-2-29-24-18-26(16-15-25-24)23-14-13-21(17-22(23)19-9-5-3-6-10-19)31(27,28)30-20-11-7-4-8-12-20/h3-14,17,24-25H,2,15-16,18H2,1H3