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

Systemtic Name: phenyl 4-[2-(phenoxysulfonylamino)-1-(4-propylphenyl)ethyl]piperazine-2-sulfonate Openeye Name: phenyl 4-[2-(phenoxysulfonylamino)-1-(4-propylphenyl)ethyl]piperazine-2-sulfonate CAS Name: 4-[2-(phenoxysulfonylamino)-1-(4-propylphenyl)ethyl]-2-piperazinesulfonic acid phenyl ester IUPAC Name: phenyl 4-[2-(phenoxysulfonylamino)-1-(4-propylphenyl)ethyl]piperazine-2-sulfonate Traditional Name: 4-[2-(phenoxysulfonylamino)-1-(4-propylphenyl)ethyl]piperazine-2-sulfonic acid phenyl ester Formula: C27H33N3O6S2 MolecularWeight: 559.69742

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C(CNS(=O)(=O)OC2=CC=CC=C2)N3CCNC(C3)S(=O)(=O)OC4=CC=CC=C4

Isomeric SMILES

CCCC1=CC=C(C=C1)C(CNS(=O)(=O)OC2=CC=CC=C2)N3CCNC(C3)S(=O)(=O)OC4=CC=CC=C4

InChI

InChI=1S/C27H33N3O6S2/c1-2-9-22-14-16-23(17-15-22)26(20-29-38(33,34)36-25-12-7-4-8-13-25)30-19-18-28-27(21-30)37(31,32)35-24-10-5-3-6-11-24/h3-8,10-17,26-29H,2,9,18-21H2,1H3