[4-[2-[(4-cyanophenyl)sulfonylamino]ethyl]phenyl] 4-cyanobenzenesulfonate

Systemtic Name: [4-[2-[(4-cyanophenyl)sulfonylamino]ethyl]phenyl] 4-cyanobenzenesulfonate Openeye Name: [4-[2-[(4-cyanophenyl)sulfonylamino]ethyl]phenyl] 4-cyanobenzenesulfonate CAS Name: 4-cyanobenzenesulfonic acid [4-[2-[(4-cyanophenyl)sulfonylamino]ethyl]phenyl] ester IUPAC Name: [4-[2-[(4-cyanophenyl)sulfonylamino]ethyl]phenyl] 4-cyanobenzenesulfonate Traditional Name: 4-cyanobenzenesulfonic acid [4-[2-[(4-cyanophenyl)sulfonylamino]ethyl]phenyl] ester Formula: C22H17N3O5S2 MolecularWeight: 467.51748

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCNS(=O)(=O)C2=CC=C(C=C2)C#N)OS(=O)(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

C1=CC(=CC=C1CCNS(=O)(=O)C2=CC=C(C=C2)C#N)OS(=O)(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C22H17N3O5S2/c23-15-18-3-9-21(10-4-18)31(26,27)25-14-13-17-1-7-20(8-2-17)30-32(28,29)22-11-5-19(16-24)6-12-22/h1-12,25H,13-14H2