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

Systemtic Name: phenyl 4-[2-(2-methylpropyl)-4-oxidanyl-phenyl]piperazine-2-sulfonate Openeye Name: phenyl 4-(4-hydroxy-2-isobutyl-phenyl)piperazine-2-sulfonate CAS Name: 4-[4-hydroxy-2-(2-methylpropyl)phenyl]-2-piperazinesulfonic acid phenyl ester IUPAC Name: phenyl 4-[4-hydroxy-2-(2-methylpropyl)phenyl]piperazine-2-sulfonate Traditional Name: 4-(4-hydroxy-2-isobutyl-phenyl)piperazine-2-sulfonic acid phenyl ester Formula: C20H26N2O4S MolecularWeight: 390.49644

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=C(C=CC(=C1)O)N2CCNC(C2)S(=O)(=O)OC3=CC=CC=C3

Isomeric SMILES

CC(C)CC1=C(C=CC(=C1)O)N2CCNC(C2)S(=O)(=O)OC3=CC=CC=C3

InChI

InChI=1S/C20H26N2O4S/c1-15(2)12-16-13-17(23)8-9-19(16)22-11-10-21-20(14-22)27(24,25)26-18-6-4-3-5-7-18/h3-9,13,15,20-21,23H,10-12,14H2,1-2H3