2-(2-bromanyl-4-tert-butyl-phenoxy)-N-[4-[4-(diphenylmethyl)piperazin-1-yl]sulfonylphenyl]ethanamide

Systemtic Name: 2-(2-bromanyl-4-tert-butyl-phenoxy)-N-[4-[4-(diphenylmethyl)piperazin-1-yl]sulfonylphenyl]ethanamide Openeye Name: N-[4-(4-benzhydrylpiperazin-1-yl)sulfonylphenyl]-2-(2-bromo-4-tert-butyl-phenoxy)acetamide CAS Name: 2-(2-bromo-4-tert-butylphenoxy)-N-[4-[[4-(diphenylmethyl)-1-piperazinyl]sulfonyl]phenyl]acetamide IUPAC Name: N-[4-(4-benzhydrylpiperazin-1-yl)sulfonylphenyl]-2-(2-bromo-4-tert-butylphenoxy)acetamide Traditional Name: N-[4-(4-benzhydrylpiperazino)sulfonylphenyl]-2-(2-bromo-4-tert-butyl-phenoxy)acetamide Formula: C35H38BrN3O4S MolecularWeight: 676.66292

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C=C1)OCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)Br

Isomeric SMILES

CC(C)(C)C1=CC(=C(C=C1)OCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)Br

InChI

InChI=1S/C35H38BrN3O4S/c1-35(2,3)28-14-19-32(31(36)24-28)43-25-33(40)37-29-15-17-30(18-16-29)44(41,42)39-22-20-38(21-23-39)34(26-10-6-4-7-11-26)27-12-8-5-9-13-27/h4-19,24,34H,20-23,25H2,1-3H3,(H,37,40)