ethyl 4-[4-(2-ethoxyphenyl)piperazin-1-yl]sulfonylbenzoate

Systemtic Name: ethyl 4-[4-(2-ethoxyphenyl)piperazin-1-yl]sulfonylbenzoate Openeye Name: ethyl 4-[4-(2-ethoxyphenyl)piperazin-1-yl]sulfonylbenzoate CAS Name: 4-[[4-(2-ethoxyphenyl)-1-piperazinyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-(2-ethoxyphenyl)piperazin-1-yl]sulfonylbenzoate Traditional Name: 4-(4-o-phenetylpiperazino)sulfonylbenzoic acid ethyl ester Formula: C21H26N2O5S MolecularWeight: 418.50654

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(=O)OCC

Isomeric SMILES

CCOC1=CC=CC=C1N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(=O)OCC

InChI

InChI=1S/C21H26N2O5S/c1-3-27-20-8-6-5-7-19(20)22-13-15-23(16-14-22)29(25,26)18-11-9-17(10-12-18)21(24)28-4-2/h5-12H,3-4,13-16H2,1-2H3