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

Systemtic Name: ethyl N-[4-[2-tridecyl-4-(triphenylmethyl)piperazin-1-yl]sulfonylphenyl]carbamate Openeye Name: ethyl N-[4-(2-tridecyl-4-trityl-piperazin-1-yl)sulfonylphenyl]carbamate CAS Name: N-[4-[[2-tridecyl-4-(triphenylmethyl)-1-piperazinyl]sulfonyl]phenyl]carbamic acid ethyl ester IUPAC Name: ethyl N-[4-(2-tridecyl-4-tritylpiperazin-1-yl)sulfonylphenyl]carbamate Traditional Name: N-[4-(2-tridecyl-4-trityl-piperazino)sulfonylphenyl]carbamic acid ethyl ester Formula: C45H59N3O4S MolecularWeight: 738.03266

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C45H59N3O4S/c1-3-5-6-7-8-9-10-11-12-13-23-30-42-37-47(35-36-48(42)53(50,51)43-33-31-41(32-34-43)46-44(49)52-4-2)45(38-24-17-14-18-25-38,39-26-19-15-20-27-39)40-28-21-16-22-29-40/h14-22,24-29,31-34,42H,3-13,23,30,35-37H2,1-2H3,(H,46,49)