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

Systemtic Name: phenyl 4-[5-ethyl-2-(methoxysulfonylamino)phenyl]piperazine-2-sulfonate Openeye Name: phenyl 4-[5-ethyl-2-(methoxysulfonylamino)phenyl]piperazine-2-sulfonate CAS Name: 4-[5-ethyl-2-(methoxysulfonylamino)phenyl]-2-piperazinesulfonic acid phenyl ester IUPAC Name: phenyl 4-[5-ethyl-2-(methoxysulfonylamino)phenyl]piperazine-2-sulfonate Traditional Name: 4-[5-ethyl-2-(methoxysulfonylamino)phenyl]piperazine-2-sulfonic acid phenyl ester Formula: C19H25N3O6S2 MolecularWeight: 455.5483

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N3O6S2/c1-3-15-9-10-17(21-30(25,26)27-2)18(13-15)22-12-11-20-19(14-22)29(23,24)28-16-7-5-4-6-8-16/h4-10,13,19-21H,3,11-12,14H2,1-2H3