methyl 2-[[5-heptyl-3-[(2-methoxycarbonylphenyl)-phenyl-methyl]sulfonyl-1,2,4-triazol-1-yl]-phenyl-methyl]benzoate

Systemtic Name: methyl 2-[[5-heptyl-3-[(2-methoxycarbonylphenyl)-phenyl-methyl]sulfonyl-1,2,4-triazol-1-yl]-phenyl-methyl]benzoate Openeye Name: methyl 2-[[5-heptyl-3-[(2-methoxycarbonylphenyl)-phenyl-methyl]sulfonyl-1,2,4-triazol-1-yl]-phenyl-methyl]benzoate CAS Name: 2-[[5-heptyl-3-[(2-methoxycarbonylphenyl)-phenylmethyl]sulfonyl-1,2,4-triazol-1-yl]-phenylmethyl]benzoic acid methyl ester IUPAC Name: methyl 2-[[5-heptyl-3-[(2-methoxycarbonylphenyl)-phenylmethyl]sulfonyl-1,2,4-triazol-1-yl]-phenylmethyl]benzoate Traditional Name: 2-[[3-[(2-carbomethoxyphenyl)-phenyl-methyl]sulfonyl-5-heptyl-1,2,4-triazol-1-yl]-phenyl-methyl]benzoic acid methyl ester Formula: C39H41N3O6S MolecularWeight: 679.82434

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=NC(=NN1C(C2=CC=CC=C2)C3=CC=CC=C3C(=O)OC)S(=O)(=O)C(C4=CC=CC=C4)C5=CC=CC=C5C(=O)OC

Isomeric SMILES

CCCCCCCC1=NC(=NN1C(C2=CC=CC=C2)C3=CC=CC=C3C(=O)OC)S(=O)(=O)C(C4=CC=CC=C4)C5=CC=CC=C5C(=O)OC

InChI

InChI=1S/C39H41N3O6S/c1-4-5-6-7-14-27-34-40-39(41-42(34)35(28-19-10-8-11-20-28)30-23-15-17-25-32(30)37(43)47-2)49(45,46)36(29-21-12-9-13-22-29)31-24-16-18-26-33(31)38(44)48-3/h8-13,15-26,35-36H,4-7,14,27H2,1-3H3