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

Systemtic Name: phenyl 4-[2-(ethoxysulfonylamino)-5-(2-methylpropyl)phenyl]piperazine-2-sulfonate Openeye Name: phenyl 4-[2-(ethoxysulfonylamino)-5-isobutyl-phenyl]piperazine-2-sulfonate CAS Name: 4-[2-(ethoxysulfonylamino)-5-(2-methylpropyl)phenyl]-2-piperazinesulfonic acid phenyl ester IUPAC Name: phenyl 4-[2-(ethoxysulfonylamino)-5-(2-methylpropyl)phenyl]piperazine-2-sulfonate Traditional Name: 4-[2-(ethoxysulfonylamino)-5-isobutyl-phenyl]piperazine-2-sulfonic acid phenyl ester Formula: C22H31N3O6S2 MolecularWeight: 497.62804

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Descriptors Computed from Structure

Canonical SMILES:

CCOS(=O)(=O)NC1=C(C=C(C=C1)CC(C)C)N2CCNC(C2)S(=O)(=O)OC3=CC=CC=C3

Isomeric SMILES

CCOS(=O)(=O)NC1=C(C=C(C=C1)CC(C)C)N2CCNC(C2)S(=O)(=O)OC3=CC=CC=C3

InChI

InChI=1S/C22H31N3O6S2/c1-4-30-33(28,29)24-20-11-10-18(14-17(2)3)15-21(20)25-13-12-23-22(16-25)32(26,27)31-19-8-6-5-7-9-19/h5-11,15,17,22-24H,4,12-14,16H2,1-3H3