phenyl 4-(3-bromanylpiperazin-1-yl)-3-(2-methylpropyl)benzenesulfonate

Systemtic Name: phenyl 4-(3-bromanylpiperazin-1-yl)-3-(2-methylpropyl)benzenesulfonate Openeye Name: phenyl 4-(3-bromopiperazin-1-yl)-3-isobutyl-benzenesulfonate CAS Name: 4-(3-bromo-1-piperazinyl)-3-(2-methylpropyl)benzenesulfonic acid phenyl ester IUPAC Name: phenyl 4-(3-bromopiperazin-1-yl)-3-(2-methylpropyl)benzenesulfonate Traditional Name: 4-(3-bromopiperazino)-3-isobutyl-benzenesulfonic acid phenyl ester Formula: C20H25BrN2O3S MolecularWeight: 453.3931

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=C(C=CC(=C1)S(=O)(=O)OC2=CC=CC=C2)N3CCNC(C3)Br

Isomeric SMILES

CC(C)CC1=C(C=CC(=C1)S(=O)(=O)OC2=CC=CC=C2)N3CCNC(C3)Br

InChI

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