methyl 2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-3-[1-(triphenylmethyl)imidazol-4-yl]propanoate

Systemtic Name: methyl 2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-3-[1-(triphenylmethyl)imidazol-4-yl]propanoate Openeye Name: methyl 2-[4-(p-tolylsulfonyl)piperazin-1-yl]-3-(1-tritylimidazol-4-yl)propanoate CAS Name: 2-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-3-[1-(triphenylmethyl)-4-imidazolyl]propanoic acid methyl ester IUPAC Name: methyl 2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-3-(1-tritylimidazol-4-yl)propanoate Traditional Name: 2-(4-tosylpiperazino)-3-(1-tritylimidazol-4-yl)propionic acid methyl ester Formula: C37H38N4O4S MolecularWeight: 634.78702

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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)OC

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)OC

InChI

InChI=1S/C37H38N4O4S/c1-29-18-20-34(21-19-29)46(43,44)41-24-22-39(23-25-41)35(36(42)45-2)26-33-27-40(28-38-33)37(30-12-6-3-7-13-30,31-14-8-4-9-15-31)32-16-10-5-11-17-32/h3-21,27-28,35H,22-26H2,1-2H3