2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-3-[1-(triphenylmethyl)imidazol-4-yl]propanoic acid

Systemtic Name: 2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-3-[1-(triphenylmethyl)imidazol-4-yl]propanoic acid Openeye Name: 2-[4-(p-tolylsulfonyl)piperazin-1-yl]-3-(1-tritylimidazol-4-yl)propanoic acid CAS Name: 2-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-3-[1-(triphenylmethyl)-4-imidazolyl]propanoic acid IUPAC Name: 2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-3-(1-tritylimidazol-4-yl)propanoic acid Traditional Name: 2-(4-tosylpiperazino)-3-(1-tritylimidazol-4-yl)propionic acid Formula: C36H36N4O4S MolecularWeight: 620.76044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(CC3=CN(C=N3)C(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(CC3=CN(C=N3)C(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)C(=O)O

InChI

InChI=1S/C36H36N4O4S/c1-28-17-19-33(20-18-28)45(43,44)40-23-21-38(22-24-40)34(35(41)42)25-32-26-39(27-37-32)36(29-11-5-2-6-12-29,30-13-7-3-8-14-30)31-15-9-4-10-16-31/h2-20,26-27,34H,21-25H2,1H3,(H,41,42)