phenyl 4-[2-(ethoxysulfonylamino)-5-ethyl-phenyl]piperazine-2-sulfonate

Systemtic Name: phenyl 4-[2-(ethoxysulfonylamino)-5-ethyl-phenyl]piperazine-2-sulfonate Openeye Name: phenyl 4-[2-(ethoxysulfonylamino)-5-ethyl-phenyl]piperazine-2-sulfonate CAS Name: 4-[2-(ethoxysulfonylamino)-5-ethylphenyl]-2-piperazinesulfonic acid phenyl ester IUPAC Name: phenyl 4-[2-(ethoxysulfonylamino)-5-ethylphenyl]piperazine-2-sulfonate Traditional Name: 4-[2-(ethoxysulfonylamino)-5-ethyl-phenyl]piperazine-2-sulfonic acid phenyl ester Formula: C20H27N3O6S2 MolecularWeight: 469.57488

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)NS(=O)(=O)OCC)N2CCNC(C2)S(=O)(=O)OC3=CC=CC=C3

Isomeric SMILES

CCC1=CC(=C(C=C1)NS(=O)(=O)OCC)N2CCNC(C2)S(=O)(=O)OC3=CC=CC=C3

InChI

InChI=1S/C20H27N3O6S2/c1-3-16-10-11-18(22-31(26,27)28-4-2)19(14-16)23-13-12-21-20(15-23)30(24,25)29-17-8-6-5-7-9-17/h5-11,14,20-22H,3-4,12-13,15H2,1-2H3