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

Systemtic Name: phenyl 4-[2-(ethoxysulfonylamino)-5-propyl-phenyl]piperazine-2-sulfonate Openeye Name: phenyl 4-[2-(ethoxysulfonylamino)-5-propyl-phenyl]piperazine-2-sulfonate CAS Name: 4-[2-(ethoxysulfonylamino)-5-propylphenyl]-2-piperazinesulfonic acid phenyl ester IUPAC Name: phenyl 4-[2-(ethoxysulfonylamino)-5-propylphenyl]piperazine-2-sulfonate Traditional Name: 4-[2-(ethoxysulfonylamino)-5-propyl-phenyl]piperazine-2-sulfonic acid phenyl ester Formula: C21H29N3O6S2 MolecularWeight: 483.60146

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=C(C=C1)NS(=O)(=O)OCC)N2CCNC(C2)S(=O)(=O)OC3=CC=CC=C3

Isomeric SMILES

CCCC1=CC(=C(C=C1)NS(=O)(=O)OCC)N2CCNC(C2)S(=O)(=O)OC3=CC=CC=C3

InChI

InChI=1S/C21H29N3O6S2/c1-3-8-17-11-12-19(23-32(27,28)29-4-2)20(15-17)24-14-13-22-21(16-24)31(25,26)30-18-9-6-5-7-10-18/h5-7,9-12,15,21-23H,3-4,8,13-14,16H2,1-2H3