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

Systemtic Name: phenyl 4-(3-ethoxypiperazin-1-yl)-3-propyl-benzenesulfonate Openeye Name: phenyl 4-(3-ethoxypiperazin-1-yl)-3-propyl-benzenesulfonate CAS Name: 4-(3-ethoxy-1-piperazinyl)-3-propylbenzenesulfonic acid phenyl ester IUPAC Name: phenyl 4-(3-ethoxypiperazin-1-yl)-3-propylbenzenesulfonate Traditional Name: 4-(3-ethoxypiperazino)-3-propyl-benzenesulfonic acid phenyl ester Formula: C21H28N2O4S MolecularWeight: 404.52302

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1)S(=O)(=O)OC2=CC=CC=C2)N3CCNC(C3)OCC

Isomeric SMILES

CCCC1=C(C=CC(=C1)S(=O)(=O)OC2=CC=CC=C2)N3CCNC(C3)OCC

InChI

InChI=1S/C21H28N2O4S/c1-3-8-17-15-19(28(24,25)27-18-9-6-5-7-10-18)11-12-20(17)23-14-13-22-21(16-23)26-4-2/h5-7,9-12,15,21-22H,3-4,8,13-14,16H2,1-2H3