phenyl 4-[4-ethoxy-2-(2-methylpropyl)phenyl]piperazine-2-sulfonate

Systemtic Name: phenyl 4-[4-ethoxy-2-(2-methylpropyl)phenyl]piperazine-2-sulfonate Openeye Name: phenyl 4-(4-ethoxy-2-isobutyl-phenyl)piperazine-2-sulfonate CAS Name: 4-[4-ethoxy-2-(2-methylpropyl)phenyl]-2-piperazinesulfonic acid phenyl ester IUPAC Name: phenyl 4-[4-ethoxy-2-(2-methylpropyl)phenyl]piperazine-2-sulfonate Traditional Name: 4-(4-ethoxy-2-isobutyl-phenyl)piperazine-2-sulfonic acid phenyl ester Formula: C22H30N2O4S MolecularWeight: 418.5496

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)N2CCNC(C2)S(=O)(=O)OC3=CC=CC=C3)CC(C)C

Isomeric SMILES

CCOC1=CC(=C(C=C1)N2CCNC(C2)S(=O)(=O)OC3=CC=CC=C3)CC(C)C

InChI

InChI=1S/C22H30N2O4S/c1-4-27-20-10-11-21(18(15-20)14-17(2)3)24-13-12-23-22(16-24)29(25,26)28-19-8-6-5-7-9-19/h5-11,15,17,22-23H,4,12-14,16H2,1-3H3