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

Systemtic Name: phenyl 4-[4-(2-hydroxyphenyl)-2-(2-methylpropyl)phenyl]piperazine-2-sulfonate Openeye Name: phenyl 4-[4-(2-hydroxyphenyl)-2-isobutyl-phenyl]piperazine-2-sulfonate CAS Name: 4-[4-(2-hydroxyphenyl)-2-(2-methylpropyl)phenyl]-2-piperazinesulfonic acid phenyl ester IUPAC Name: phenyl 4-[4-(2-hydroxyphenyl)-2-(2-methylpropyl)phenyl]piperazine-2-sulfonate Traditional Name: 4-[4-(2-hydroxyphenyl)-2-isobutyl-phenyl]piperazine-2-sulfonic acid phenyl ester Formula: C26H30N2O4S MolecularWeight: 466.5924

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=C(C=CC(=C1)C2=CC=CC=C2O)N3CCNC(C3)S(=O)(=O)OC4=CC=CC=C4

Isomeric SMILES

CC(C)CC1=C(C=CC(=C1)C2=CC=CC=C2O)N3CCNC(C3)S(=O)(=O)OC4=CC=CC=C4

InChI

InChI=1S/C26H30N2O4S/c1-19(2)16-21-17-20(23-10-6-7-11-25(23)29)12-13-24(21)28-15-14-27-26(18-28)33(30,31)32-22-8-4-3-5-9-22/h3-13,17,19,26-27,29H,14-16,18H2,1-2H3