N-[4-[2-tridecyl-4-(triphenylmethyl)piperazin-1-yl]sulfonylphenyl]benzamide

Systemtic Name: N-[4-[2-tridecyl-4-(triphenylmethyl)piperazin-1-yl]sulfonylphenyl]benzamide Openeye Name: N-[4-(2-tridecyl-4-trityl-piperazin-1-yl)sulfonylphenyl]benzamide CAS Name: N-[4-[[2-tridecyl-4-(triphenylmethyl)-1-piperazinyl]sulfonyl]phenyl]benzamide IUPAC Name: N-[4-(2-tridecyl-4-tritylpiperazin-1-yl)sulfonylphenyl]benzamide Traditional Name: N-[4-(2-tridecyl-4-trityl-piperazino)sulfonylphenyl]benzamide Formula: C49H59N3O3S MolecularWeight: 770.07606

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC1CN(CCN1S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3)C(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

CCCCCCCCCCCCCC1CN(CCN1S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3)C(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C49H59N3O3S/c1-2-3-4-5-6-7-8-9-10-11-24-33-46-40-51(49(42-27-18-13-19-28-42,43-29-20-14-21-30-43)44-31-22-15-23-32-44)38-39-52(46)56(54,55)47-36-34-45(35-37-47)50-48(53)41-25-16-12-17-26-41/h12-23,25-32,34-37,46H,2-11,24,33,38-40H2,1H3,(H,50,53)