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

Systemtic Name: phenyl 4-[4-bromanyl-2-(2-methylpropyl)phenyl]piperazine-2-sulfonate Openeye Name: phenyl 4-(4-bromo-2-isobutyl-phenyl)piperazine-2-sulfonate CAS Name: 4-[4-bromo-2-(2-methylpropyl)phenyl]-2-piperazinesulfonic acid phenyl ester IUPAC Name: phenyl 4-[4-bromo-2-(2-methylpropyl)phenyl]piperazine-2-sulfonate Traditional Name: 4-(4-bromo-2-isobutyl-phenyl)piperazine-2-sulfonic acid phenyl ester Formula: C20H25BrN2O3S MolecularWeight: 453.3931

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25BrN2O3S/c1-15(2)12-16-13-17(21)8-9-19(16)23-11-10-22-20(14-23)27(24,25)26-18-6-4-3-5-7-18/h3-9,13,15,20,22H,10-12,14H2,1-2H3