phenyl 4-[1-(4-ethylphenyl)-2-(phenoxysulfonylamino)ethyl]piperazine-2-sulfonate

Systemtic Name: phenyl 4-[1-(4-ethylphenyl)-2-(phenoxysulfonylamino)ethyl]piperazine-2-sulfonate Openeye Name: phenyl 4-[1-(4-ethylphenyl)-2-(phenoxysulfonylamino)ethyl]piperazine-2-sulfonate CAS Name: 4-[1-(4-ethylphenyl)-2-(phenoxysulfonylamino)ethyl]-2-piperazinesulfonic acid phenyl ester IUPAC Name: phenyl 4-[1-(4-ethylphenyl)-2-(phenoxysulfonylamino)ethyl]piperazine-2-sulfonate Traditional Name: 4-[1-(4-ethylphenyl)-2-(phenoxysulfonylamino)ethyl]piperazine-2-sulfonic acid phenyl ester Formula: C26H31N3O6S2 MolecularWeight: 545.67084

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(CNS(=O)(=O)OC2=CC=CC=C2)N3CCNC(C3)S(=O)(=O)OC4=CC=CC=C4

Isomeric SMILES

CCC1=CC=C(C=C1)C(CNS(=O)(=O)OC2=CC=CC=C2)N3CCNC(C3)S(=O)(=O)OC4=CC=CC=C4

InChI

InChI=1S/C26H31N3O6S2/c1-2-21-13-15-22(16-14-21)25(19-28-37(32,33)35-24-11-7-4-8-12-24)29-18-17-27-26(20-29)36(30,31)34-23-9-5-3-6-10-23/h3-16,25-28H,2,17-20H2,1H3